#METABOLOMICS WORKBENCH carlo_g_20190619_205514 DATATRACK_ID:1744 STUDY_ID:ST001201 ANALYSIS_ID:AN001999 PROJECT_ID:PR000809 VERSION 1 CREATED_ON June 24, 2019, 1:02 pm #PROJECT PR:PROJECT_TITLE System-wide biochemical analysis reveals ozonide and artemisinin antimalarials PR:PROJECT_TITLE initially act by disrupting malaria parasite haemoglobin digestion PR:PROJECT_SUMMARY Artemisinins are currently the first-line antimalarials, and rely on a peroxide PR:PROJECT_SUMMARY pharmacophore for their potent activity. OZ277 (arterolane) and OZ439 PR:PROJECT_SUMMARY (artefenomel) are newer synthetic peroxide-based antimalarials with potent PR:PROJECT_SUMMARY activity against the deadliest malaria parasite, Plasmodium falciparum. Here we PR:PROJECT_SUMMARY used a “multi-omics” workflow, in combination with activity-based protein PR:PROJECT_SUMMARY profiling (ABPP), to demonstrate that peroxide antimalarials initially target PR:PROJECT_SUMMARY the haemoglobin (Hb) digestion pathway to kill malaria parasites. Time-dependent PR:PROJECT_SUMMARY metabolomic profiling of peroxide-treated P. falciparum infected red blood cells PR:PROJECT_SUMMARY (iRBCs) revealed a rapid depletion of short Hb-derived peptides, while PR:PROJECT_SUMMARY untargeted peptidomics showed accumulation of longer Hb peptides. Quantitative PR:PROJECT_SUMMARY proteomics and ABPP assays demonstrated that Hb digesting proteases were PR:PROJECT_SUMMARY significantly increased in abundance and activity following treatment, PR:PROJECT_SUMMARY respectively. The association between peroxide activity and Hb catabolism was PR:PROJECT_SUMMARY also confirmed in a K13-mutant artemisinin resistant parasite line. To PR:PROJECT_SUMMARY demonstrate that compromised Hb catabolism may be a primary mechanism involved PR:PROJECT_SUMMARY in peroxide antimalarial activity, we showed that parasites forced to rely PR:PROJECT_SUMMARY solely on Hb digestion for amino acids became hypersensitive to short peroxide PR:PROJECT_SUMMARY exposures. Quantitative proteomics analysis also revealed parasite proteins PR:PROJECT_SUMMARY involved in translation and the ubiquitin-proteasome system were enriched PR:PROJECT_SUMMARY following drug treatment, suggestive of the parasite engaging a stress response PR:PROJECT_SUMMARY to mitigate peroxide-induced damage. Taken together, these data point to a PR:PROJECT_SUMMARY mechanism of action involving initial impairment of Hb catabolism, and indicate PR:PROJECT_SUMMARY that the parasite regulates protein turnover to manage peroxide-induced damage. PR:INSTITUTE Monash University PR:LAST_NAME Giannangelo PR:FIRST_NAME Carlo PR:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia PR:EMAIL carlo.giannangelo@monash.edu PR:PHONE 99039282 #STUDY ST:STUDY_TITLE Peroxide antimalarial treatment timecourse on trophozoite-stage P. falciparum ST:STUDY_TITLE parasites ST:STUDY_SUMMARY Red blood cells (RBCs) infected with trophozoite stage P. falciparum parasites ST:STUDY_SUMMARY (3D7 strain) at 10% parasitaemia and 2% haematocrit were treated with OZ277 (300 ST:STUDY_SUMMARY nM), OZ439 (300 nM), DHA (100 nM) or vehicle (0.03% DMSO). This was a ST:STUDY_SUMMARY 4-timepoint study, with samples taken 0, 0.5, 1.5 and 3 h after drug or vehicle ST:STUDY_SUMMARY addition. Samples treated with vehicle acted as the untreated control. Samples ST:STUDY_SUMMARY from drug treated uninfected RBCs were also taken to ensure the observed drug ST:STUDY_SUMMARY effects were parasite specific. ST:INSTITUTE Monash University ST:LAST_NAME Giannangelo ST:FIRST_NAME Carlo ST:ADDRESS 381 Royal Parade, Parkville, Victoria, 3052, Australia ST:EMAIL carlo.giannangelo@monash.edu ST:PHONE 99039282 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium falciparum;Homo sapiens SU:TAXONOMY_ID 5833/9606 SU:GENOTYPE_STRAIN 3D7 SU:AGE_OR_AGE_RANGE 28-34 h post invasion #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_iRBC_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_unRBC_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_iRBC_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_unRBC_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_iRBC_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_unRBC_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_a cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_iRBC_a cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_a cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_a cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_unRBC_a cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_a cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_aa cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_iRBC_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_aa cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_aa cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_unRBC_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_aa cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_aa cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_iRBC_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_aa cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_aa cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_unRBC_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_aa cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_aa cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_iRBC_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_aa cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_aa cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_unRBC_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_aa cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_aa cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_iRBC_a cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_aa cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_aa cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_unRBC_a cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_aa cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_iRBC_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_unRBC_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_iRBC_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_unRBC_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_iRBC_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_unRBC_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_b cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_iRBC_b cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_b cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_b cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_unRBC_b cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_b cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_bb cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_iRBC_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_bb cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_bb cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_unRBC_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_bb cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_bb cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_iRBC_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_bb cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_bb cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_unRBC_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_bb cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_bb cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_iRBC_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_bb cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_bb cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_unRBC_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_bb cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_bb cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_iRBC_b cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_bb cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_bb cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_unRBC_b cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_bb cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_iRBC_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_unRBC_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_iRBC_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_unRBC_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_iRBC_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_unRBC_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_c cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_iRBC_c cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_c cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_c cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_unRBC_c cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_c cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_cc cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_iRBC_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_cc cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_cc cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_unRBC_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_cc cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_cc cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_iRBC_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_cc cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_cc cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_unRBC_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_cc cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_cc cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_iRBC_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_cc cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_cc cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_unRBC_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_cc cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_cc cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_iRBC_c cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_cc cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_cc cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_unRBC_c cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_cc cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_iRBC_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ439_unRBC_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_iRBC_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ439_unRBC_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_iRBC_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ439_unRBC_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_d cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_iRBC_d cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_d cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_d cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ439_unRBC_d cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_d cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 0h_DHA_iRBC_dd cell_type:iRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_iRBC_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_iRBC_dd cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DHA_unRBC_dd cell_type:unRBC | treatment:DHA | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_OZ277_unRBC_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0h_DMSO_unRBC_dd cell_type:unRBC | treatment:DMSO | treatment_duration_(h):- SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_iRBC_dd cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_iRBC_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_iRBC_dd cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DHA_unRBC_dd cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_OZ277_unRBC_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 0_5h_DMSO_unRBC_dd cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_iRBC_dd cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_iRBC_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_iRBC_dd cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DHA_unRBC_dd cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_OZ277_unRBC_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 1_5h_DMSO_unRBC_dd cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5 SUBJECT_SAMPLE_FACTORS - 3h_DHA_iRBC_dd cell_type:iRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_iRBC_d cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_iRBC_dd cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DHA_unRBC_dd cell_type:unRBC | treatment:DHA | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_OZ277_unRBC_d cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 SUBJECT_SAMPLE_FACTORS - 3h_DMSO_unRBC_dd cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 #COLLECTION CO:COLLECTION_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the CO:COLLECTION_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation CO:COLLECTION_SUMMARY period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the CO:COLLECTION_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of CO:COLLECTION_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite CO:COLLECTION_SUMMARY extraction. Metabolites were extracted from the cell pellet using 150 µL of CO:COLLECTION_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the CO:COLLECTION_SUMMARY internal standard compounds CHAPS CO:COLLECTION_SUMMARY (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS CO:COLLECTION_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES CO:COLLECTION_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS CO:COLLECTION_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell CO:COLLECTION_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at CO:COLLECTION_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at CO:COLLECTION_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to CO:COLLECTION_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each CO:COLLECTION_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) CO:COLLECTION_SUMMARY sample. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Trophozoite stage P. falciparum infected RBCs (10% parasitaemia and 2% Hct) were TR:TREATMENT_SUMMARY treated with OZ277 (300 nM), OZ439 (300 nM), DHA (100 nM) or an equivalent TR:TREATMENT_SUMMARY volume of DMSO (0.03%) for 0, 0.5, 1.5 and 3 h. During the drug incubation TR:TREATMENT_SUMMARY period parasites were at 37°C under a gas atmosphere of 94% N2, 5% CO2 and 1% TR:TREATMENT_SUMMARY O2. TR:TREATMENT_COMPOUND OZ277 (arterolane), OZ439 (artefenomel) and dihydroartemisinin (DHA) TR:TREATMENT_VEHICLE DMSO TR:CELL_MEDIA Complete RPMI medium (10.4 g/L) containing HEPES (5.94 g/L), hypoxanthine (50 TR:CELL_MEDIA mg/L), sodium bicarbonate (2.1 g/L) and Albumax II (5 g/L). TR:CELL_MEDIA_LASTCHANGED Immediately prior to initiation of drug incubation #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the SP:SAMPLEPREP_SUMMARY culture medium refreshed prior to drug addition. Following the drug incubation SP:SAMPLEPREP_SUMMARY period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the SP:SAMPLEPREP_SUMMARY culture medium was removed. Parasite metabolism was quenched by the addition of SP:SAMPLEPREP_SUMMARY ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite SP:SAMPLEPREP_SUMMARY extraction. Metabolites were extracted from the cell pellet using 150 µL of SP:SAMPLEPREP_SUMMARY cold chloroform/methanol/water (1:3:1). The extraction solvent containing the SP:SAMPLEPREP_SUMMARY internal standard compounds CHAPS SP:SAMPLEPREP_SUMMARY (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS SP:SAMPLEPREP_SUMMARY (3-(cyclohexylamino)-1-propanesulfonic acid), PIPES SP:SAMPLEPREP_SUMMARY (1,4-piperazinediethanesulfonic acid) and TRIS SP:SAMPLEPREP_SUMMARY (2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell SP:SAMPLEPREP_SUMMARY pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at SP:SAMPLEPREP_SUMMARY 4°C. Following the 1 h incubation, samples were pelleted by centrifugation at SP:SAMPLEPREP_SUMMARY 21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to SP:SAMPLEPREP_SUMMARY glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each SP:SAMPLEPREP_SUMMARY sample was combined to generate a pooled biological quality control (PBQC) SP:SAMPLEPREP_SUMMARY sample. SP:PROCESSING_STORAGE_CONDITIONS Described in summary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The 32 min gradient HPLC run was from 80% B to 50% B over 15 min, then to 5% B CH:CHROMATOGRAPHY_SUMMARY at 18 min, followed by a wash with 5% B for 3 min and re-equilibrated with 80% B CH:CHROMATOGRAPHY_SUMMARY at a flow rate of 0.3 mL/min. CH:CHROMATOGRAPHY_TYPE pHILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) CH:SOLVENT_A 20 mM ammonium carbonate CH:SOLVENT_B 100% acetonitrile #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolite detection was performed using a high-resolution Q Exactive MS MS:MS_COMMENTS (ThermoFisher) in both positive and negative ionisation modes. The PBQC sample MS:MS_COMMENTS was run periodically throughout each LC-MS batch to monitor signal MS:MS_COMMENTS reproducibility and support downstream metabolite identification. Extraction MS:MS_COMMENTS solvent blank samples were also analysed to identify possible contaminating MS:MS_COMMENTS chemical species. To aid in metabolite identification, approximately 250 MS:MS_COMMENTS authentic metabolite standards were analysed prior to each LC-MS batch and their MS:MS_COMMENTS peaks and retention time manually checked using the ToxID software MS:MS_COMMENTS (ThermoFisher). Metabolomics data were analysed using the IDEOM workflow (Creek MS:MS_COMMENTS et al. 2012) . Briefly, the IDEOM processing pipeline uses msconvert for MS:MS_COMMENTS conversion of raw files to mzXML files and split polarity, XCMS to extract raw MS:MS_COMMENTS peak intensities and mzMatch to align samples, filter noise, fill missing peaks MS:MS_COMMENTS and annotate related peaks. Manual assessment of spiked internal standards, MS:MS_COMMENTS total ion chromatograms and median peak heights ensured signal reproducibility MS:MS_COMMENTS and allowed exclusion of outlier samples. High confidence metabolite MS:MS_COMMENTS identification (MSI level 1) was made by matching accurate mass and retention MS:MS_COMMENTS time to authentic metabolite standards. Putative identifications (MSI level 2) MS:MS_COMMENTS for metabolites lacking standards were based on exact mass and predicted MS:MS_COMMENTS retention times. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples 0_5h_DHA_iRBC_a 0_5h_DHA_iRBC_aa 0_5h_DHA_iRBC_b 0_5h_DHA_iRBC_bb 0_5h_DHA_iRBC_c 0_5h_DHA_iRBC_cc 0_5h_DHA_iRBC_dd 0_5h_DHA_unRBC_a 0_5h_DHA_unRBC_aa 0_5h_DHA_unRBC_b 0_5h_DHA_unRBC_bb 0_5h_DHA_unRBC_c 0_5h_DHA_unRBC_cc 0_5h_DHA_unRBC_d 0_5h_DHA_unRBC_dd 0_5h_DMSO_iRBC_a 0_5h_DMSO_iRBC_b 0_5h_DMSO_iRBC_bb 0_5h_DMSO_iRBC_c 0_5h_DMSO_iRBC_cc 0_5h_DMSO_iRBC_d 0_5h_DMSO_iRBC_dd 0_5h_DMSO_unRBC_a 0_5h_DMSO_unRBC_aa 0_5h_DMSO_unRBC_b 0_5h_DMSO_unRBC_bb 0_5h_DMSO_unRBC_c 0_5h_DMSO_unRBC_cc 0_5h_DMSO_unRBC_dd 0_5h_OZ277_iRBC_a 0_5h_OZ277_iRBC_b 0_5h_OZ277_iRBC_c 0_5h_OZ277_iRBC_d 0_5h_OZ277_unRBC_a 0_5h_OZ277_unRBC_b 0_5h_OZ277_unRBC_c 0_5h_OZ277_unRBC_d 0_5h_OZ439_iRBC_a 0_5h_OZ439_iRBC_b 0_5h_OZ439_iRBC_c 0_5h_OZ439_iRBC_d 0_5h_OZ439_unRBC_a 0_5h_OZ439_unRBC_b 0_5h_OZ439_unRBC_c 0h_DHA_iRBC_a 0h_DHA_iRBC_aa 0h_DHA_iRBC_b 0h_DHA_iRBC_bb 0h_DHA_iRBC_c 0h_DHA_iRBC_cc 0h_DHA_iRBC_dd 0h_DHA_unRBC_a 0h_DHA_unRBC_aa 0h_DHA_unRBC_b 0h_DHA_unRBC_c 0h_DHA_unRBC_cc 0h_DHA_unRBC_d 0h_DHA_unRBC_dd 0h_DMSO_iRBC_a 0h_DMSO_iRBC_aa 0h_DMSO_iRBC_b 0h_DMSO_iRBC_bb 0h_DMSO_iRBC_cc 0h_DMSO_iRBC_d 0h_DMSO_iRBC_dd 0h_DMSO_unRBC_aa 0h_DMSO_unRBC_b 0h_DMSO_unRBC_bb 0h_DMSO_unRBC_c 0h_DMSO_unRBC_cc 0h_DMSO_unRBC_dd 0h_OZ277_iRBC_a 0h_OZ277_iRBC_b 0h_OZ277_iRBC_c 0h_OZ277_iRBC_d 0h_OZ277_unRBC_a 0h_OZ277_unRBC_b 0h_OZ277_unRBC_c 0h_OZ277_unRBC_d 0h_OZ439_iRBC_b 0h_OZ439_iRBC_c 0h_OZ439_unRBC_a 0h_OZ439_unRBC_b 0h_OZ439_unRBC_c 0h_OZ439_unRBC_d 1_5h_DHA_iRBC_a 1_5h_DHA_iRBC_aa 1_5h_DHA_iRBC_b 1_5h_DHA_iRBC_bb 1_5h_DHA_iRBC_c 1_5h_DHA_iRBC_cc 1_5h_DHA_iRBC_d 1_5h_DHA_iRBC_dd 1_5h_DHA_unRBC_a 1_5h_DHA_unRBC_aa 1_5h_DHA_unRBC_b 1_5h_DHA_unRBC_c 1_5h_DHA_unRBC_cc 1_5h_DHA_unRBC_dd 1_5h_DMSO_iRBC_a 1_5h_DMSO_iRBC_aa 1_5h_DMSO_iRBC_b 1_5h_DMSO_iRBC_bb 1_5h_DMSO_iRBC_c 1_5h_DMSO_iRBC_cc 1_5h_DMSO_iRBC_dd 1_5h_DMSO_unRBC_a 1_5h_DMSO_unRBC_aa 1_5h_DMSO_unRBC_b 1_5h_DMSO_unRBC_bb 1_5h_DMSO_unRBC_c 1_5h_DMSO_unRBC_cc 1_5h_DMSO_unRBC_d 1_5h_DMSO_unRBC_dd 1_5h_OZ277_iRBC_a 1_5h_OZ277_iRBC_b 1_5h_OZ277_iRBC_c 1_5h_OZ277_iRBC_d 1_5h_OZ277_unRBC_a 1_5h_OZ277_unRBC_b 1_5h_OZ277_unRBC_c 1_5h_OZ277_unRBC_d 1_5h_OZ439_iRBC_a 1_5h_OZ439_iRBC_b 1_5h_OZ439_iRBC_c 1_5h_OZ439_unRBC_a 1_5h_OZ439_unRBC_b 1_5h_OZ439_unRBC_c 1_5h_OZ439_unRBC_d 3h_DHA_iRBC_a 3h_DHA_iRBC_aa 3h_DHA_iRBC_b 3h_DHA_iRBC_c 3h_DHA_iRBC_cc 3h_DHA_iRBC_dd 3h_DHA_unRBC_a 3h_DHA_unRBC_aa 3h_DHA_unRBC_b 3h_DHA_unRBC_bb 3h_DHA_unRBC_c 3h_DHA_unRBC_cc 3h_DHA_unRBC_d 3h_DHA_unRBC_dd 3h_DMSO_iRBC_a 3h_DMSO_iRBC_aa 3h_DMSO_iRBC_b 3h_DMSO_iRBC_bb 3h_DMSO_iRBC_c 3h_DMSO_iRBC_cc 3h_DMSO_iRBC_d 3h_DMSO_iRBC_dd 3h_DMSO_unRBC_a 3h_DMSO_unRBC_aa 3h_DMSO_unRBC_b 3h_DMSO_unRBC_bb 3h_DMSO_unRBC_c 3h_DMSO_unRBC_cc 3h_DMSO_unRBC_d 3h_DMSO_unRBC_dd 3h_OZ277_iRBC_a 3h_OZ277_iRBC_b 3h_OZ277_iRBC_c 3h_OZ277_iRBC_d 3h_OZ277_unRBC_a 3h_OZ277_unRBC_b 3h_OZ277_unRBC_c 3h_OZ277_unRBC_d 3h_OZ439_iRBC_a 3h_OZ439_iRBC_b 3h_OZ439_iRBC_c 3h_OZ439_iRBC_d 3h_OZ439_unRBC_a 3h_OZ439_unRBC_b 3h_OZ439_unRBC_c 3h_OZ439_unRBC_d Factors cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5 cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:unRBC | treatment:DHA | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | treatment_duration_(h):- cell_type:iRBC | treatment:DMSO | 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treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3 Phenylpropanoate 371423.8438 443522.3125 380842.9063 101715.0625 4359541.5 91767.38281 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285022.9063 130339.0938 341517.1875 131994.3438 268880.5313 233251.6406 218389.3438 204383.1094 262996.1875 185434.2031 199715.1406 315029.875 436228.8438 260498.875 203098.4063 113295.5625 86963.60938 83769.41406 144055.875 125935.6797 113149.9063 233583.7656 105381.4219 199022.4375 75782.97656 81597.05469 196618.25 198061.9844 141710.5938 369544.1875 149920.4219 364881.0625 102053.1094 275766.1563 251022.625 238884.5625 111239.5938 206314.9375 81528.875 239668.2813 89728.01563 173029.8125 175535.4844 184553.6094 143335.7344 311287.6563 119196.4609 453074.2188 116362.9844 269336.3125 212242.5781 216255.0313 223516.6563 255651.2969 175839.3125 192279.1094 255739.9219 351699.0938 280170.8125 220183.625 108348.9844 67970.20313 97630.60938 183290.2344 143414.3906 135853.375 117104.2813 214351.5469 Cichorine 114310.0547 166259.8438 155839.0781 130614.6016 130881.6016 131082.6563 103046.1797 139432.6719 145204.2188 184253.0156 126047.6641 85994.10156 76366.64844 127896.3438 88746.29688 161330.3438 81110.19531 106144.8516 103753.6094 41173.94141 147889.9063 83164.90625 126794.1172 118132.7734 127277.3828 138436.6875 115297.2031 125087.5547 139801.5469 112257.1406 102592.7031 100526.5156 108748.3359 81847.78906 112856.2734 110245.1953 74858.84375 142977.9688 103014.9844 101517.6563 67433.875 90808.48438 139034.8438 129119.6484 143040.9219 91077.02344 77039.79688 68019.04688 121570.3125 86521.22656 49809.04688 195525.9688 96334.49219 121394.6953 95446.53906 100823.0391 127458.0391 116760.75 197283.2813 124283.8047 100775.8594 86176.88281 93006.21094 59938.65625 126585.2969 126480.9922 92841.54688 156180.3125 103903.2578 131360.6563 127531.3047 102347.7109 79272.57031 101629.6328 111742.2422 121927.7422 135483 100103.6797 95141.8125 138961.6094 131974.2188 163795.0938 98373.14063 85267.46094 59097.04688 211300.5 71607.69531 132998.9375 93038.58594 116149.5 86688.23438 68724.0625 120308.625 144758.4688 174458.8281 140118.2969 123169.0156 143701.1406 121768.3359 159793.0313 77269.92188 114879.4688 78776.71875 116243.7422 101144.8125 114751.8828 142685.1563 159973 151485.7969 144866.1875 140671.375 137107.1563 138856.9219 143637.875 114120.0313 125916.75 37445.71094 119692.4531 48900.80078 112922.6563 73386.71094 93478.17188 147779.4844 81306.5 127261.2344 164273.7969 97918.29688 143064.7344 70777.40625 195996.1406 109431.4297 77931.47656 125162.8125 100258.6953 151790.0938 184450.6563 140308.25 117849.9531 129755.7656 63478.99219 109493.8203 58013.39063 106739.4219 147381.1406 105939.0391 90679.73438 87900.33594 90699.25781 102705.2656 68798.94531 91135.97656 161468.3125 117685.2422 105634.0313 163679.9688 101167.2813 144121 62139.15625 79540.57031 101330.3047 107405.9844 93062.04688 129463.0078 102299.5703 148475.5469 135325.9531 103766.2344 161001.5469 67555.86719 129319.7813 131706.4531 169332.5 125571.6016 98768.5 78379.80469 Urate 0 0 23102.36914 46727.37109 72189.57813 0 34061.91016 508449.3438 55460.90625 779470.5 861173.25 432303.1875 144111.2188 218313.3125 279749.4688 7828.728027 7868.858398 8978.088867 86281.125 0 12734.04004 13217.95215 7289176 61303.13281 609300.5625 276051.3125 372846.3125 272224.0313 310966.7813 0 20596.57813 0 41832.42969 68345.02344 445419.5625 142043.2344 255528.625 9557.157227 17572.53516 69745.46875 11833.06543 6151131.5 434951.9375 435726.3125 9341.387695 0 31762.13867 93871.64063 52702.35547 33294.57813 75887.69531 303765.7813 110211.9063 838983.8125 555130.1875 387401.4063 235859.0313 506661.1875 8103.686035 0 31595.80273 61339.01563 5281.199219 22077.10938 63178.42578 44329.03906 747103.1875 901194.1875 503741.25 383673.125 646677.9375 0 102120.2969 6787.182617 79446.03125 55960.375 1265152.25 360043.8438 466310.0938 43840.64063 75394.92969 169456.4375 880001.3125 615000.125 344895.4375 6332.538574 0 22736.16992 46480.05859 62964.02734 7324.323242 12538.24219 25579.4668 580547.75 64958.27734 427614.7813 383917.6563 233411.2188 162241.3438 0 18468.60742 25452.42188 15871.62012 63711.61328 0 17775.32031 454884.9063 23855.88867 420292.625 544917.375 516172.6563 188283.1875 121511.9844 95411.24219 0 33589.01172 0 18896.08594 55624.89844 375648.4375 197320.2344 124827.1328 0 45842.63672 56766.23828 481718.5 314593.3125 384815.5938 109586.1719 19534.19727 6239.081055 15149.24805 46538.73438 0 7545.538574 422540.75 85924.375 296712.4063 671098.125 312327.75 166207.5625 138785.9844 145354.8281 24732.77148 0 15418.28809 17657.00195 34174.95703 0 7117.86084 13655.17969 516735.375 43004.34766 400982.6563 504454.25 318984.9063 191786.2188 48778.02734 94279.96875 0 23168.64453 0 15692.27832 84773.94531 482412.5938 148550.5625 112653.8359 19665.44922 20075.77344 45400.25391 6962.864258 552790.5625 398259.7813 356549.125 243196.2188 (S)-Dihydroorotate 270572.5 113439.3438 256462.8906 86333.82031 48880.03516 112912.5313 164941.9688 33709.8125 45282.68359 27744.07617 42166.17578 31467.21875 65472.74609 32315.68359 41405.90625 205568 225457.1406 102138.9453 63301.38672 105509.0078 25007.60938 103355.0234 21519.30859 39897.38281 21557.48047 48202.10156 26655.61133 54547.52344 34117.92969 84992.65625 87922.30469 131676.875 163657.2969 42100.56641 44241.46484 56325.51563 28117.76953 198661.4531 232255.1875 64012.87109 33401.79297 27449.32031 19452.45508 26718.42188 220781.2188 118172.3984 223728.8281 76604.75781 75586.26563 140243.1719 161681.4531 43685.92578 36474.03516 13130.6748 26481.46484 52995.05469 19917.24414 30010.12305 261129.0938 113886.7422 264539.3438 76192.82813 111469.4375 23576.67969 139867.5 32649.70117 15723.47363 40864.66797 15688.24316 67837.21094 31766.39844 128532.2891 80904.92969 120907.2969 131690.875 40030.17188 42533.31641 51625.44531 38009.85547 202773.1406 51416.73438 34964.06641 17117.37695 23835.98242 26970.67383 197190.9063 98085.59375 156628.5156 70825.78125 45092.375 97672.39844 26036.94922 95952.10938 40532.74609 51272.55469 17280.91797 36241.24219 65484.60547 41376.73047 165072.9219 97741.19531 157797.125 57420.98828 49385.18359 108279.4063 117583.1641 32570.6582 42464.89453 21258.87891 38682.40625 35679.70313 55658.53906 40715.55859 34171.375 105896.1797 102962.6563 95458.41406 113796.1641 59171.39844 56622.11719 46499.60156 31932.38477 203755.2031 135061.9063 50952.64063 34182.68359 21717.875 27397.05078 37823 84992.03125 65097.18359 71501.40625 34126.8125 72949.42969 76388.57813 39643 58218.34766 28050.5293 43381.87109 28878.98633 52073.61719 40349.47656 46303.84766 157319.2344 74534.34375 100068.7734 55450.35156 33836.92969 71581.97656 22490.53906 65633.82031 37006.03125 44839.33203 19423.58789 52667.75781 31855.85156 46874.92969 31750.75391 30904.875 61734.80469 68716.69531 71295.36719 77343.89063 45373.73047 39837.80469 43653.14063 40712.78516 105282.3594 82534.34375 42048.82031 25760.23438 38755.00781 27456.05273 34195.83984 31931.27539 N-(tetradecanoyl)-sphing-4-enine-1-phosphate 160560.9063 96346.57813 67175.82031 87461.89844 62223.91016 70434.25781 85919.94531 70202.39063 88978.22656 107330.5938 105161.0547 63954.84766 63451.98047 69106.33594 66592.32813 71539.5625 75535.82031 74485.71875 52625.27344 73161.50781 79275.57813 70885.85938 97751.11719 94851.72656 94025.90625 112993.1016 56350.16016 71326.49219 69184.27344 107849.4453 86695.97656 68306.99219 68335.99219 91683.84375 91545.45313 57156.46484 73791.14844 80560.14063 67683.78906 56904.55078 61067.61719 105746.2891 89505.36719 71159.63281 92721.35156 84954.61719 103077.1406 69254.26563 60662.89063 62695.33203 65628.84375 98848.72656 86709.21875 87542.05469 64456.66406 67121.71094 70730.17188 54823.30859 138355.5625 76953.57031 92575.85156 65731.92969 55178.69141 62300.875 79855.35156 87641.375 94624.4375 93806.25 69182.23438 69378.90625 62949.16797 65796.95313 77061.17188 60699.42578 64704.72266 93177.09375 116298.8672 60511.46484 76381.58594 70881.47656 65392.15625 104418.1641 81728 90384.57813 57070.26953 93393.89063 78900.25781 78409.96875 95404.42188 74612.42969 65312.23828 58531.46875 68467.29688 73903.64844 81292.35938 68839.57031 91719.22656 69577.8125 64701.49609 86406.33594 77224.42969 64605.57813 57439.86719 57450.25 57680.42578 72733.92188 92703.46094 81494.08594 81296.67188 100438.0781 55665.29688 65901.28906 61043.04297 80242.82813 92314.92969 74240.88281 79104.97656 72445.41406 73653.92188 78306.21094 69708.89063 80532.82031 65464.86328 55014.60156 63943.95313 113127.2266 82252.63281 74359.125 76038.64844 108212.3359 79473.55469 65694.34375 61790.17578 66472.01563 61604.91016 99123.94531 102021.5703 78311.25781 68522.70313 70537.61719 71412.11719 61469.63281 57131.80078 102531.3125 85626.14063 72322.75 60373 65174.84375 67415.92188 47694.75781 80827.82813 77276.71094 101857.9453 90603.35938 83112.50781 58471.75391 65150.91797 67897.71875 66472.53125 107969.375 70692.10156 84201.19531 54061.32813 121215.0078 77331.44531 70187.23438 65266.52344 69140.5625 77241.35156 63974.97266 60881.47266 71148.20313 78318.41406 56805.41406 65566.55469 2-deoxyglucose-6-phosphate 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287730.2813 269224.7188 257607.9531 335169.3438 455445.5313 375703.1875 486677.9063 305732.125 615512.5625 462996.25 1005213.813 1281692.875 746130.9375 895566.4375 865847.625 880148.0625 814460.5625 415156.7813 434167.4063 525157 561018.9375 375068.1875 580921.5 255737.125 431662.5 1214578 1091675.375 929202.3125 803371.875 487423.0313 708595.9375 509322.6875 394624.9063 1052395 711190 936847.125 386463 434269.4063 392891.375 310828.625 1118233.875 1277007.125 779189.4375 888012.5625 854295.5625 926485.25 395968.0625 543388.4375 550266.4375 566804.3125 308657.9375 542356.125 246209.2969 409403.75 1172690.375 1307384.625 691147.1875 1040101.25 803949.75 883862.875 677763 764809.5625 374746.6563 465325.6875 461153.8438 718806.5 334995.875 566422.4375 228833.4219 460795.0938 1302781.375 1137070 962304.5 888253.125 411285.375 600485.5625 532050.625 385075.1875 1058246.125 689255.9375 963821.75 760340.5 423060.8125 519686.625 357676.875 233324.0313 Ganglioside GM1 (d18:1/24:1(15Z)) 687306.1875 953625.6875 675647.625 753395.1875 556064.5625 477678.125 645548.375 604247.1875 915423.1875 769438.25 817015.4375 535786 471583.125 643091.125 532503.4375 604871.125 575709.8125 825372.125 541444.5625 174859.0625 552990.625 496416.875 722310.9375 992000.5 667637.4375 749868 620055.6875 464320.875 486815.8438 1023072.188 716949.6875 490233 496622.7188 1088404.625 755277.25 394507.4375 469599.0625 475770.4688 601812.625 613035.25 663124.8125 721607.5625 685742.0625 507675.7188 724871.9375 1002295.625 581104.875 845750.375 639134.4375 625624.625 658164.4375 672885.8125 1080586.5 610925.125 657810.9375 444096.6875 596551.25 520651.4688 920420.0625 947054.4375 588895.625 838068.5 507831.1563 580431.625 468793.5 1009071.375 709041.6875 780814 610395.6875 419655.5625 469797 1050032.875 877554.5625 612225 546966.1875 994522.0625 896611.875 538217.75 439845 693526.375 693799.0625 824484.375 631395.75 622786.4375 552669.1875 908006.125 1053216.875 562837.75 729880.5625 569559.6875 526168.5 542329.25 617346.1875 1027042.5 963574.5625 646803.4375 539860.9375 424752.5625 476891.6875 583398.25 1050018.125 604432.3125 813284.5 574625.875 542083.25 467896.7813 965265.875 958246.875 665279.6875 856421.4375 453620.4688 481247.5 721732.0625 521779.6875 908709.375 727820.0625 563140.6875 533198.625 1007766.625 991437.875 364439.1563 447932.5625 597918.75 549444.125 479639.0625 930229.4375 599784.3125 512680.5938 645193.75 1020752.25 1046315.688 589940.625 480258 536384.1875 506863.3438 905264.3125 977453.5 651152.625 1046573 479385.875 597233.5625 804414.75 548554.5 907870.625 885597.5625 589032.5625 850039.375 568275.8125 565906.8125 558099.375 460328.2188 690444.4375 918100.3125 657202.25 1161750.375 502808.4688 529854.375 764537.75 499382.8125 1091576.125 862684.0625 539511 563401.875 964378.6875 886244.75 548404.875 455656.75 698386.0625 540831.75 567949.8125 645382.5625 716488.4375 677292 653790.0625 678044.625 Bile salt 279288.3125 274470.625 439330.9375 269910.1563 211441.7188 177365.5938 249713.9844 245396.7656 227771.7344 340461.4375 250136.7656 161687.8906 203502.25 129667.4922 186910.6875 293214.875 232971.2188 231909.1875 229934.0156 170484.4531 145640.9688 219170.75 221670.6719 290759.2188 229802.125 264937.4375 148709.2188 173436.1094 165804.6094 264307.6563 231477.9063 185712.75 218833.0938 201078.2188 246246.1094 172646.4219 177403.7813 251119.5 239463.75 233223 197728.0469 222552.9844 223644.7656 173821.1875 362081.8438 492634.6563 380973.6875 286744.4688 322572 314212.7813 494289.7188 484917.0625 309306.0625 249560.8906 196709.8281 275639.3125 146746.0469 274031.2813 395144.6875 345722.0625 361121.1563 317348.7813 247686.5625 208150.875 416530.2813 360221.8125 280309.1563 248578.6563 213089.6563 290012.9375 225578.6563 423556.9375 336559.5938 261332.7031 427406.1563 354816.7813 298827.1563 261658.9375 227644.6563 324802.0625 332512.5625 339417.8125 277453.9688 188683.3281 134007.9688 428769.125 339087.125 324677.8125 362797.0313 381899.1875 215219.1875 158518.2656 295179.7813 305344.5625 329341.8438 233251.7969 209153.2344 242362.2656 220246.7188 400599.9688 361101.5625 278973.8438 338012.25 269829.4375 263242.25 313336.3125 277106.875 258773.6719 269678 276606.6875 206950.1094 196505.625 142339.6094 204864.7969 368406.8125 343263.0625 297345.4688 257441.0156 318662.75 298032.7188 201157.6563 176292.0469 486360.2188 310366.2188 310161.6875 296029.9375 276864.75 212870.7813 152358.8438 429456.6563 380615.75 349275.625 334506.9688 245372.9844 305984.4063 267799.5625 287309.6875 241972.5625 327888.2813 216130.0625 244888.5781 178182.1094 272956.4688 540208.375 407381.625 312585.2188 395176.375 286363.9375 285682.375 181199.4375 361743.3438 321516.0625 278790.2813 234604.3125 376177.625 202349.7188 284108.5938 160387.8906 238440.7188 377989.4375 513861.7188 364128.5313 365693.9063 474010.9063 317916.75 270166.1563 270958 461586.0625 293115.1875 334088.0313 226652.6094 308160.0625 306001.0625 212798.0625 151651.5938 Glu-Cys 134211.2344 155406.7969 72414.21094 80247.03125 41566.58984 59636.85547 39773.21484 153269.0469 137411.2188 91946.42188 117513.2734 142607.9531 48079.31641 165761.2969 48923.85547 107548.5547 63592.8125 78723.375 35573.95313 55004.54688 103111.4766 25407.72656 16566.57813 149658.6406 83284.32813 118499.625 137149.4219 61220.35938 55221.48438 150561.7188 71670.64844 78416.50781 47846.58984 147108.0156 103368.4219 63648.01172 37291.19141 113254.6563 72048.82813 32528.58789 129523.4531 88727.53906 92170.63281 119237.9922 111895.4766 162291.8906 54903.40234 70948.21875 36245.51172 88196.59375 39509.56641 144002.9844 149706.4375 74729.50781 144962.0469 53414.61328 183091.9531 42315.79688 130747.8125 145610.4844 68092.625 62854.63281 70381.92969 139996.4063 34392.98828 153448.4063 78367.53125 98589.73438 118577.1406 57963.30078 47814.64453 163649.3594 62917.65234 73643.57031 28144.08008 133071.3125 115512.3125 54333.89063 47192.55859 57369.62109 40479.47656 149310.8125 68137.32813 132123.9375 200705.2031 134368.2344 157515.8906 69727.41406 73053.95313 39002.23828 63409.45313 153662.1719 36585.20313 181821.6094 145358.9063 74866.0625 136994.3125 65023.11719 41870.10938 113191.3281 143389.7031 70153.13281 67631.67188 38777.82813 64925.42578 36131.92578 186559.1406 159163.2031 86521.75 100067.1406 129912.8438 61662.71875 200578.0938 45975.86328 150521.1094 113311.8047 67607.8125 38092.71875 155228.2031 133984.8281 73756.96875 45966.34766 111570.5391 60219.79688 40547.84766 162434.1094 78112.94531 140279.5938 217704.9844 116428.7891 151164.9531 59634.59375 38444.28125 62285.20313 42844.83203 180631.2344 196464.8594 78042.6875 112473.8828 119664.3906 63739.51172 223280.6563 49065.38672 133402.4375 144740.0313 52224.75781 66583.71094 40633.76172 67822.17969 112349.6641 34538.875 178082.9219 159545.5938 90725.64063 161158.3594 141198.4219 56951.80859 214423.75 39327.16016 140331.8281 75392.24219 63242.16797 36741.45313 169772.8125 114604.8672 68815.67188 42627.28516 106007.2031 53453.63672 39473.54688 132212.5938 173731.4063 86760.88281 160070.3906 196428.6719 NicotinamideN-oxide 390955.75 59738.82031 177762.4844 37265.39063 110508.4141 79466.28125 86921.59375 100340.3359 60691.53906 110545.7266 45887.92578 170763.625 114064.1172 36204.11719 60633.21875 228410.2344 151364.3594 45130.59375 136350.1719 66682.38281 58733.40234 72186.71094 166121.4844 63887.46094 195907.2969 57939.16797 187066.8594 113060.1016 98642.33594 46305.42578 46346.76563 82925.11719 96223.91406 41058.15234 39750.89844 123946.3984 82465.42969 201084.5469 172102.0781 130257.75 70959.01563 134652.6094 216264.5156 149227.6875 246536.0625 59251.08984 133253.9531 61962.01563 143763.5156 77158.46875 92872.625 383695.3438 48066.63672 142970.1875 114230.2656 86608.32813 40907.84766 71399.23438 305270.9688 64775.16406 126513.1094 39329.46875 58198.11719 42707.27734 71642.76563 47287.25391 184074.1094 75272.07031 120844.3281 107279.4609 87319.14063 61158.96484 31307.875 57333.375 72298.92969 48540.44531 54958.83203 93085.75781 79837.35156 126801.0938 134848.25 373979.7813 139266.125 105895.4844 44009.21875 245252.2031 67169.77344 149346.625 49331.67969 118086.2813 63776.92188 59916.12891 106362.1641 120482.7656 59778.07422 155141.75 132280.7813 86861.05469 69178.82813 299410.3125 39537.44141 158350.5781 44304.30078 122709.6406 76572.77344 96043.625 158293.4844 55654.67578 166742.7344 52540.62891 150595.375 95551.03906 23677.03711 117095.2734 67796.78125 48825.88672 75451.21875 73127.05469 63515.18359 47780.56641 88768.78906 91914.54688 210755.25 149111.9688 142470.0469 156262.4531 251979.9688 126816.6016 27146.33984 156033.8906 59794.11719 124222.9141 128839.1016 92304.4375 97726.71094 174628.125 69811.40625 183860.9688 42604.03125 122980.1641 86475.03906 38546.08203 91146.42188 199227.7813 70387.375 124764.0625 46011.45313 107938.5391 83407.88281 46672.80078 79788.14063 164840.6719 58461.07813 108880.6172 51595.99219 127082.5781 101150.1953 33797.10938 80335.33594 49764.46094 61337.62109 69071.00781 68026.29688 59088.01172 44576.33984 118077.8047 99161.6875 233491.3438 109581.2344 137265.625 59997.03516 178953.9063 113973.1875 130846.7813 28006.89063 N-Acetylneuraminate 109038.3281 78732.94531 76977.75 108945.7969 85577.52344 908258.4375 1608219.375 90136.76563 89964.60156 121683.6953 150848.7969 82750.91406 1971623.5 45535.42578 1808483.5 86580.875 70025.14844 89378.10156 80808.23438 677770.375 40381.62109 1353710 89162.78125 81541.08594 117372.1563 134124.6094 84088.25 2216085.5 1650620.375 71962.82031 112461.2656 1065974.75 2042308.125 82320.67969 136314.2344 1925948.75 1701094.375 94787.34375 72681.39063 87987.82031 56939.5625 112901 96873.35156 63928.26172 81500.24219 54225.08984 79776.5625 79670.89844 87139.74219 1336165.125 2086158.875 140827.3281 76578.76563 76384.71094 88227.98438 2626287.25 48098.04297 1881211.75 109464.4297 74361.17969 100024.8047 68610.49219 1601655.125 61311.26172 1849037 62349.4375 73164.39063 145306.2188 75405.07031 2755259.75 1862933.875 74647.20313 89059.22656 1240303.75 1714373.625 86928.34375 165772.8438 2179217.75 1784060.125 78684.78125 69113.91406 85706.34375 83827.96094 65031.07422 44357.07422 85185.54688 86977.77344 91475.5625 104118.9141 70269.67188 1026823.25 60869.97266 1708759.75 101587.3438 87467.52344 95616.46094 88777.47656 2729234.75 1788706.375 71457.53125 87648.34375 92721.67969 100248.2266 89891.02344 1178273.875 1888390.375 77103.79688 87394.23438 111016.0078 110478.6641 103918.5 2082475.5 46726.96484 1704868.75 70553.76563 121673.8984 1328959.125 1940376.375 73872.23438 124521.4766 2463314.25 1963323.25 92570.44531 91736.07031 87232.90625 76103.75 99830.23438 94777.35156 46879.73438 98796.89063 64660.22656 70186.78906 75884.75781 1225415.625 1924418.375 79076.02344 69220.70313 70164.40625 95757.32813 66716.48438 2302501.75 50729.90234 2036376 96996.875 64061.42578 68460.13281 85230.67188 76098.63281 1241949.125 38085.32031 1976030.75 102977.2734 66721.67188 74680.46094 99680.32813 73165.69531 2807780 30405.39258 1730650.875 71300.54688 85925.86719 1170004.625 2357019.75 71561.55469 105530.2344 2379948.5 2265436.75 82998.98438 73203.84375 75704.3125 44546.59766 93409.82813 78972.8125 70420.20313 37264.625 PE(30:4) 2247584.5 652511.625 980567.5 1075430.125 1233929.5 1363819.25 1605896 1220316.5 458477.2188 1721536.75 1150093 1010920.25 1388454.5 1158606.75 1583912.5 1076295.375 893994.5625 984179.1875 1064506.125 801623 1078779.375 1489147.125 1589276.25 603593.625 1069148.25 93445.19531 1319336.5 1227769.75 1118965.875 676872.3125 977001.6875 1192095 1279336.75 738500.4375 1152578.875 1342332.75 1346837.25 1655228.5 965575.875 1422767 1263644.5 1600671.375 1198479.375 1082238.25 1633966 799805 1022233.75 840007.875 950974.5 1344101.875 1415691.375 1025011.813 515905.25 1094073.375 1066787.25 1310740.625 1119736.25 1133706.875 1928382.25 664589.125 1128481.875 1071446.25 933002.9375 1173535.125 1514584.625 825446.25 1162065.625 1090461.125 1040795.5 1160099.5 1403868.375 604717.875 943241.375 1108911.625 1342486.375 609614.6875 1147937.625 1450337.125 1247821.5 990627.875 1078401.375 1498613.625 1006043 1041318.5 798841.0625 1986745.875 792613.3125 1061986 1094044 1220928.5 1359696.375 1234464.25 1280777.25 1826300.375 792340.5625 1180782.875 1152092.5 1361352.25 1244793.5 1960995.25 782080.375 962126.75 1117385.875 1196417.375 1013767.125 1344793 1964193.625 733575.375 1000801.438 940969.1875 1103307.125 1289769.125 1207183.75 1455984 723206.25 1331744.375 1093899.25 1169604.125 880080.625 888053.5625 1513842.125 1676720.5 1390840 982695.625 1164360.5 1886433.125 982047.25 1557982.875 919946 1869106.625 901970.6875 944362.5 1111288.5 1505857.125 1428470.625 1593409.625 821656.875 1206364 823312.1875 1314274.625 1534650.75 1084606.375 1287845.875 1904142.125 977344.3125 1230235.625 1164271.25 1359431.75 1204551 1084799.375 1571907.625 1015392.5 921961.875 1009045.875 1137225.125 1110552.5 1351530.375 1039208.813 1179830.125 921982.1875 923031.3125 1308051.25 1123582 1075563.375 914593.0625 1451650.875 1312316.25 1442528 991469.625 1327396.625 1015484.25 1008844.438 1377291.75 1101859.75 1112609.875 D-Galacturonate 777863.75 562212.5625 989558.6875 620024.6875 568092.75 409033.75 463745.5313 495696.4375 530041.625 686113.1875 1068037.25 405342.75 537923.125 438575.4375 492903.2188 620503.875 615649 589267.25 562122.1875 386887.0625 381391.7813 401453.4375 480582.3125 654540.9375 893989.3125 1214788.625 368743.9688 676008.375 515358.4375 580639 705263.875 458644.75 538827.375 599735.6875 1200010.375 466842.7813 444945.9688 682523.25 671540 497810.2813 438685.1875 467029.7188 732262.1875 419189.8438 707050.25 601819.4375 665693.25 470372.25 488481.7188 416779.5 420320.5313 1039973.125 571970.4375 654779.625 456212.25 584223.6875 343728.4688 292003.875 1146101.5 555953.6875 661116.875 490666.3438 509675.5938 431197.6563 502141.375 649043.625 683737.0625 1168021.75 539414.25 656261.5625 378094.4688 544038.125 594431.875 562017.8125 398357.8125 660691.375 1225765.625 715761.625 346522.4063 502357.4688 472656.7188 796070.25 715973.125 439553.5 513025.1563 725372.25 610262.75 667688.0625 731368.8125 510124 442210.4063 448888.3438 471184.9375 513396.1563 615655.4375 607911.375 527213.125 492965.5313 450105.4375 590296.625 716292.75 685797.0625 628513.875 527725 463526.0313 497414.2813 578919.8125 833727 735111.8125 1042527.5 788783.9375 683969.0625 430978.7188 452251.5938 533479.625 716105.375 534372.5 555352.125 650403.4375 691421.125 495854.2813 493853.3125 725177.8125 552240.25 526481.1875 588929.5625 676992.1875 627255.1875 447300.3125 730222.3125 594441.8125 677606.0625 557163.8125 380141.5313 491898.75 644653.9375 763017.25 765170.9375 712937.75 541507.625 610497.5625 410992.2188 364815.75 838034.3125 584762 687505.0625 570167.5625 540799.4375 464739.9688 462942.9063 527807.8125 775722.875 811783.125 785238.875 812664.5 692082.875 733900.5 444339.625 450224.7813 628269.8125 568196.5 421289.4688 463216.75 849611.625 790238.1875 719202.875 427657.5625 786512.75 570873.375 481940.7813 405878.8438 692095.6875 728306.6875 609320.875 426447.0313 [SP] Sphinganine-1-phosphate 1028459.438 656606.1875 612165.1875 540321 442727.3438 557733.375 1216412.5 366977.2813 413281.1875 352099.4688 395677 342608.4375 904402.0625 460168.1563 691819.5 668224.375 479301.2813 519054.0625 410983.625 560021.1875 513920.0938 956339.5 300996.2188 409601.25 274451.8125 325903.6563 379822.875 689440.25 691260.375 553681.375 459712.875 593087.8125 1041965.25 475410.5 330845.875 701757.9375 632148.6875 677486.625 550365.875 372547.5938 535325.6875 359174.3125 259709.7656 351241.5313 848059.75 781501.1875 720133.125 503924.0625 409366.25 602989.8125 1570146.375 389777.5938 447956.4063 300833.9375 484573.1563 890790.3125 554262 763425 1245756.5 696303.75 667303 535330.1875 581749.8125 575777.0625 1378273.625 536089.75 275191 421775.8438 370242.625 872662.75 813632.5 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721571.5625 667480.5625 765981.125 1094714.75 470292.5625 407733.9375 921245.125 574346 896647.125 525044.5 405501.9688 533770.625 327300.3125 291748.375 387743.4375 389230.3438 Glu-Glu 51394.32031 59453.60547 116500.0938 149654.8125 118443.3672 65682.07031 108433.2266 0 0 0 0 0 0 0 0 29193.23438 102762.1641 142050.4219 94523.99219 58760.34766 41185.28125 80487.34375 0 0 0 0 0 0 0 56302.52344 146059.6875 77179.51563 128200.0313 0 0 0 0 40040.73828 93699.66406 110184.3047 52976.75781 0 0 0 50672.01172 59503.69922 77659.92188 111851.1328 110078.2656 92391.13281 104119.4375 0 0 0 0 0 0 0 63283.48438 60464.96875 84008.9375 87707.92188 75081.89063 40782.58594 100144.3516 0 0 0 0 0 0 65456.82031 104333.1094 83084.64063 79275.54688 0 0 0 0 100309.8359 117720.2813 0 0 0 0 45310.70313 37046.19141 93371.52344 148123.7656 59743.86328 89650.83594 59004.25 53533.16406 0 0 0 0 0 0 43308.01563 41787.17188 79141.89844 125131.5703 64593.46484 104811.6172 65304.17969 0 0 0 0 0 0 0 0 54354.82813 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117168.2656 134506.2969 122997.25 136304.5313 216120.7969 75867.17188 92007.74219 83994.5625 73863.19531 92555.52344 86027.69531 63862.01953 329857.6563 161722.1875 136920.7188 132002.5625 177773.9844 127340.2734 117633.5781 131384.5938 155686 95042.95313 107863.8125 91668.08594 106778.1563 81322.98438 72386.50781 68928.14063 150819.3594 118874.7344 132948.7188 138011.7188 93479.00781 87309.99219 88258.8125 80657.94531 168375.8906 136755.4844 193617 131100.5313 134917.6094 95298.96875 133314.2813 89758.08594 3-O-(6'-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 489280.8438 229481.9375 255410.1719 237764.8594 219163.4531 225847.6719 269643.0938 323863.8438 194228.4688 316133.1875 274359.2188 262973.4375 275633.8438 226389.375 310093.125 291517.0313 256736.2969 270644.9063 236799.7969 87875.96094 218591.0469 228644.5781 401964.5625 231430.7656 283116.5938 269610.625 236123.1094 258898.2813 265034.125 224567.2344 234586.6875 255652.8281 233642.0625 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362389.7813 546155.125 500605.9063 510531.4375 445261.7813 365600.125 540372.4375 369480.8438 333773.1563 376123.1875 296875.125 427090.5938 288672.5938 410737.125 544235 478522.9688 499597.5938 398064.4375 620519.8125 395742.4063 445235.75 431561.6563 367888.9688 412499.5625 543968.25 430799.5938 563440.625 483353.0625 726023.25 457539.8438 317236.3125 392676.0625 276859.1875 325661.5313 438961.9063 387464.5938 367173.7188 428723.3438 394798.4688 390665.0938 263990.0313 307476.5938 379907.5938 530313.875 443929.1563 473982.4375 415275.6875 657952.25 324073.9063 480384.125 438026.8125 367504.5625 423088.1563 376482 234604.0156 439418.9375 305709.2813 377258 337578.9375 489559.375 442310.6563 460327.875 406385.7188 757704.9375 365402.9063 482019.1563 370993.6563 377660.6563 370552.7188 437880.3125 375594.5 519313 505379.8438 710468.8125 451647.5 362167.4375 353434.4688 215021.1406 307788.8438 337726.5625 468249 406674.9375 370449.4688 379459.9375 beta-D-Sedoheptulopyranose 232393.6875 143260.5469 139449.8906 155036.2969 122585.4688 119704.9141 145353.625 213977 147984.3906 226410.3438 222134 196452.6406 158957.25 100243.4297 159823.5938 162978.2344 125521.0078 154494 127363.8203 115876.6094 91767.4375 105305.3203 180621.5938 144429.4375 186807.7344 207543.7188 186724.5625 191124.5156 137689.3594 124785.9297 174686.4531 144953.625 154718.5938 152915.125 179705.5313 164339.0781 130877.0234 168938.3281 136083.5625 145585.0781 124143.8516 208850.625 174104.2031 180825.9375 169806.9063 134801.3281 118685.5234 123480.6953 135379.6094 132291.4688 143836.4375 233785.4688 149777.1094 181504.1406 169981.125 181858.1875 115634.3594 120840.6016 190301.25 128923.7656 133701.6719 130791.3203 129126.5 120948.5156 113755.7969 173647.8906 220703.6875 198343.8906 138075.8438 202825.5 134268.9063 148557.125 129200.5859 141871.4375 118373.9688 151076.5 225772.2656 193300 129887.7031 117764.2031 139071.9844 221818.0938 180566.8906 180354.625 83254.39844 174343.875 138370.4375 137747.4531 171268.7344 143857.4844 133414.3281 120016.6094 135169.7188 259836.3438 165762.2813 205793.5625 178714.2656 218142.3906 145488.75 167775.6875 124223 133123.7656 126130.2813 137153.9844 132445.6094 147076 225565.1406 164344.4375 202256.9844 156941.4063 188296.7031 200921.0625 110287.9844 139397.875 135574.6719 164535.125 137581.8125 138490.0156 160323.9063 186421.9063 171886.3281 124139.4531 166000.4063 116874.7656 122168.3672 224107.1719 194309.3594 166441.8906 112059.9375 184249.3438 159810.6563 118423.4609 140732.9688 126540.8906 145690.0625 218696.0938 168850.8125 183487.1406 177551.1875 146386.0156 176052.5781 120363.7578 149559.4844 187001.2031 140043.5625 112994.4688 139320.125 126394.3281 138016.7344 124841.875 127407.7109 210845.9219 166061.8906 175107.5469 198753.2188 161084.6563 180779.8594 103068.7344 142039.2188 139091.9688 133327.4844 134322.1875 138337.8281 147001.3594 155756.4219 177222.4531 150767.2188 141667.1094 96021.25 154181.9063 85376.30469 220332.4219 218874.7656 164351.3594 108118.6094 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 1104933.375 492294.1563 524939 699483.1875 581556.4375 458178.8438 521982.375 0 0 0 0 0 0 0 0 473805 492014.6875 597819 602806.5 590069.5 343299.9063 564414.25 0 0 0 0 0 0 0 366749.5625 650576.6875 469609.8438 570766.125 0 0 0 0 621049.3125 512465.25 563801.5625 397659.9063 0 0 0 455079.1563 354351 528251.5 444076.9688 473133.625 372338.5625 390521 0 0 0 0 0 0 0 723672.1875 343297.1875 552734.375 444280.2188 336741.75 312957.75 480959 0 0 0 0 0 0 429685 465159.9375 454789.6563 468527.875 0 0 0 0 567154.8125 559538.875 0 0 0 0 963439.125 531763.25 796208.1875 835105.3125 787834.0625 473077.9688 553486.125 666055.0625 0 0 0 0 0 0 854685.125 410500.5938 528169.3125 735283.625 621506.25 507471.1563 551225 0 0 0 0 0 0 0 0 381713.9688 1039249.813 371632.3125 585003.0625 0 0 0 0 632925.8125 569519 599631.625 0 0 0 0 749516.0625 507192.1563 771817.625 757208.125 504703.75 640342.625 0 0 0 0 0 0 0 0 945415.4375 479773.375 777224.625 763424.9375 789263.6875 655110.0625 403626.6563 995198.1875 0 0 0 0 0 0 0 0 616563.375 706116.625 500950.9063 662545.125 0 0 0 0 588586.4375 606935.3125 728785.5 446944.2813 0 0 0 0 CMP-N-trimethyl-2-aminoethylphosphonate 534250.1875 3952563.5 380123.9688 3798195.75 431995.8125 1468770.375 689610.6875 521029 3504125.5 564856.8125 4131210.5 388074.4063 258508.2813 2921110 308832.5625 489503.9688 477918.375 3647767.75 449231.6875 1372065.125 2453188.5 531944.8125 393937.2188 3720388.25 477600.4063 3805231 390062.6875 340879.7813 253882.2344 3603304.75 3647852 1559265.125 704505 3624023.5 4011507.25 368640.625 240440.0625 448081.4688 438072.125 432773.375 2713361.25 554462.875 397401.3438 422930.5313 438514.3438 3981550.5 405075.1875 3849016.5 500925.6875 1536927.625 683005.9375 440224.9375 3755635 447166.1563 355784.4688 335381.2813 2879688.75 295030.4063 489273.1563 3838489.25 412389.25 3693030.5 1540215 2604168.75 649647.375 3633449.5 478776.8125 4183238.5 421656.5313 378564.9375 286410.8438 3871637.5 3649452 1607042.375 564538.1875 3772152.5 4240251 296422.9688 263991.2188 480207.375 445419.0313 511817.75 433266.2188 435410 3019431.5 474389.4375 4071125.75 418462.4063 3886312 470018.5625 1733251.875 2843401.25 759074.6875 521637.125 4024596.25 430246.4063 446066.9688 362492.5938 294453.875 509382.2188 3973150.75 427622.0938 3733332.25 418700.125 1512752.375 783557.0625 584018.6875 3938940.5 441437.6875 4156145.75 423142.625 298287.8438 2875602.25 234535.4063 4053290 3713459.5 1473361.5 617887.4375 3727208.5 4423790.5 301751.8125 240495.1719 497510.1563 439650.6563 445793.0938 473676.5 521334.8125 424286.4063 3048856 482608 4108751.75 413752.75 463600.0625 1522797 676465.0625 530452.1875 4066242.75 488949.4063 4277884.5 346977.2813 375482.6563 2821365 295094.4063 516653.0938 3894411 462894.4063 3799647.5 417891.5625 1466586.375 3014021.75 655055.0625 458845.1563 3385002.5 382591.5313 4249900 432097.8438 280442.625 2651179.5 278748.6563 3957416 3762598.5 1638120.75 704779.3125 3371498.25 4274650 304006.125 289953.7188 495217.125 463597.5625 477398.0625 2796952.25 519256.375 455730.5625 422465.6563 2732164 PE(31:4) 4100906.25 1793699.25 2479559.75 2323346.5 2692459 2751391 3460740.25 2982345.75 1383471.375 4114176.25 2312719 2465534 3241570 2307375.25 3444567.5 2686623.25 2182465.5 2167403.5 2610256.5 1179442.75 2461551 3134458.5 4283639 1445009 2990301.5 2216397.25 2508364.75 271425.2813 3024508.75 1549563.625 2172784.25 2333913.75 2523991 1714736.875 2533689.25 3105633.5 3006531.75 4086675.5 2390120.75 2823971 2455244 3948034.5 2655664.75 2442190.5 3753409.25 1950527.75 2499958.75 1866584.875 2555991.25 261783.6719 3021296.5 2839975.75 1364925.75 2578117.75 2338502.5 2758257.75 2723745.5 2852694.25 3846707 1603078.5 2447788.75 2312288.75 2139341.75 2762373.25 3203725.25 1944910.625 2512333.5 2605064.25 2320630.5 2475860.5 2991621.25 1588011 2244982 2423155 2891919 1448239 2269837.5 3089925 3022455.75 2432453.5 2446583.75 3504544 2526896.75 2549009.5 1614133.25 4225089 1846039.875 2251782 2407132.75 2865038.75 2780304 2490596.25 2663466.5 3916084.25 1894700 2691377 2259527 2728954.75 2476631.25 4465277.5 1833635.25 2518544.75 2315811.25 2654058.75 2369550 3089702.5 3938218.75 1727220 2317824.5 2211791.25 2608205.25 211403.3125 2491921 2995330 1839078.5 2470130.5 2497255 2419598.5 1951140.75 1928651.5 3311712.25 3162907.5 3395983.75 2385941.25 2570567.75 4068942.5 2436605.5 3122756.25 1999992.375 4400341 2104734 2673321 2787601 2785195.75 2686744 3950334.25 1879308.125 2718910.75 2064624.625 2902629 2904855.5 2531019.75 2848792.75 3834719.25 2356944.5 2737565.25 2419257.5 2868107.75 2608030.5 2510157.75 3322674.5 2594400.75 1899082.375 2670455.75 2462217 2644989.25 2656489 1998830.375 2647123.25 2004050.375 1953659.625 2687405.5 2671636.5 2097070.625 1988838.25 3093677.5 2597929 4014286 2162231.5 3106463.25 2100419 2646133.75 2908033.75 2555854.75 1940370.625 4-Amino-4-deoxychorismate 249035.4844 201597.2188 267863.1875 217695.4844 201342.3594 143571.2969 165788.75 180149.2969 168435.8281 288557.0938 281907.5625 212311.7656 232887.0625 123631.8594 156309.2656 223191.2656 229609.2344 205104.5625 188955.8438 112443.1641 135103.6719 117934.875 135477.6875 200576.1406 252947.2031 300525.7813 218045.2344 225493.8906 153925.4375 192322.7188 212816.875 201898.3906 153162.7188 157316.5625 232833.9219 274003.2188 157872.4219 194502.6094 212685.75 220252.0469 166715.9531 178709.1719 234686.5938 191410.5938 181286.6719 208448.4844 188382.7656 166699.9844 261076.3281 205923.0625 174622.4688 254849.9844 201193.375 232974.75 178673.5781 266603.9375 138491.0781 137224.8438 223198.7344 179182.1563 200687.0469 140468.9063 171318.0938 170928.7344 137535.75 222001.9219 200894.3438 289222.0313 169840.1719 242025.6875 174118.5469 193003.1875 152292.75 166760.2969 128131.0234 231977.9688 319918.4688 272259.4063 131087.125 205256.9375 185762.1406 244254.6406 229621.9688 195126.2188 181453.5 228040 209138.2344 173452.0469 246351.2188 179629.8281 203695.9375 193086.9219 164704.9844 263779.9688 199112.0469 249106.8281 188367.75 257656.25 155628.8125 249637.4844 234445.75 180655.5938 178816.1094 237641.0938 189726.75 209680.0469 238080.9375 297152.5 273585.1875 266488.125 237530.0156 235477.0938 174946.0313 169288.7188 172581.7813 298526.6875 183927.5313 185925.3438 213857.7344 240035.2188 215554.2813 162645.5938 190559.875 185566.9844 213451.8125 247026.1875 237102.8281 198642.125 151171.3906 190369.125 190943.25 173956.0781 219197.9063 195854.8438 201705.4219 195349.3125 178126.7031 189024.9375 168827.2031 193574.8125 228767.8906 151286.2969 176561.4844 194507.7813 176539.1406 155246.9219 163679.25 207340.8438 201485.9531 174266.9688 163262.6563 195662.4531 213961.4219 176809.8281 241533.625 250036.2813 260566.4063 127733.6875 136873.0156 156186.4531 160665.1406 168751.7188 194247.1094 200920.5938 211287.4688 268092.6875 157029.75 193194.25 185155.0313 204994.4375 162187.6875 185704.7188 221879.5625 220654.1875 132048.7188 Vicine 86984.60938 173656.2813 86679.98438 146053.7188 62298.55469 71448.88281 78907.74219 87563.35156 133991.0156 85327.04688 157603.3281 72736.375 51629.47266 103546.9531 53286.34766 78453.97656 52371.51953 157770.0625 63921.69531 93415.60938 93630.00781 53045.14063 80968.54688 136119.9531 80377.78906 154432.5938 61018.66016 117677.0547 68587.15625 149449.5469 109519.6406 77372.82813 71104.64063 147140.125 145861.5156 69124.64844 53142.36719 99033.36719 82816.3125 83438.10938 111694.0234 72728.60156 82814.17188 67111.45313 86251.23438 136266.0938 71574.98438 137194.8281 79657.48438 82206.90625 64192.82422 90855.35938 132111.8594 63229.28516 81215.91406 91291.03906 102558.1484 42349.96484 102483.5469 162477.3906 60372.66797 128565.4531 74746.71094 92406.04688 69358.35938 135192.5781 71149.57813 152942.9844 68552.79688 100244.125 58443.21484 147300.1719 141168.0313 86278.22656 58775.46484 136880.1406 178724.625 63568.76563 81043.24219 68106.99219 68721.47656 71828.70313 87007.96094 68572.00781 105575.7656 81359.28125 143868.8906 50342.11719 144629.75 69107.64063 88056.22656 122255.6797 77561.75781 59794.74609 149617.3906 77023.42188 75678.4375 67572.71094 49434.71094 91146.46875 144858.1094 61225.06641 133728.2031 56523.51172 78071.03906 84362.25 78739.24219 144062.3906 73792 162414.5469 73231.69531 80346.61719 101171.4766 57698.13672 149799.4531 141181.875 90504.35156 75499.54688 144891.75 192762.5938 61775.89063 64947.17188 69550.16406 72491.67969 84526.22656 75568.08594 83549.66406 92171.3125 103909.4844 73616.35938 128136.1094 58382.67578 66392.60938 90704.29688 84002.53906 109271.4297 174114.9375 71631.88281 158430.75 71140.00781 57246.35156 95216.52344 66222.73438 81824.77344 149456.5625 62145.03516 142940.5156 59084.85156 81777.58594 103786 61681.80078 87471.01563 151765.0156 63741.46484 174316.3438 76209.07031 83839.96094 85115.74219 89897.125 128330.8906 154158.3125 83932.53906 84019.16406 138151.1094 157962.3125 94742.55469 51920.76172 92873.16406 47293.20313 73262.69531 102917.0859 87653.09375 78586.39844 67289.07813 113621.6641 Ganglioside GA1 (d18:1/24:1(15Z)) 5386154.5 1318959.625 2483661.75 2024656.125 3408782.75 3244162.25 3714430.25 2810028.75 958158 4305518.5 2289391 2840932.75 3345772.5 2275206.5 3007545.75 2475963.5 2551021.5 1844037.5 2755401 2270164.25 2993617.75 3263407 3368953 1137971.5 2536784.25 2261759 2905263.75 2796059.25 2678212 1152184.625 1936527.25 2365441.75 2613660.25 1160397.375 1934478.125 3102801 3655441.5 3918686.25 2331806.75 3445934.5 2753241.5 3745523.25 2855580 2535235.75 3963743.5 1419196.25 2328684.25 1647436.875 2488664 2607816.75 2757134.75 2433481.5 1099874.875 2515245.5 2492191.75 2758446.25 2121482.5 2347417 4565284.5 1042294.25 2646360.75 1973607.75 2326426 2794384 3185834 1398087.75 2656782.75 1871479.875 2740078.75 2582420.5 2632121.25 1219766.25 1908039.875 2425026 3275921.5 1179407.375 1631681.375 2945384 2823420.25 2134465.75 2991162.75 3501010 2557527 2641944.75 1638552.125 5350874 1457462.75 2570134.25 2222060.75 2879248.25 2866053.75 2546149.25 3129360.25 4044663.75 1470182.625 2812223.25 2849793.5 2908789.25 2386061.5 4248342 1383460 2326863.5 1804915.375 2823019.75 2470722.75 3118767.5 4466064 1503257.625 2361142 1763568.5 3137361.75 2809474.5 2650577.5 3671886.5 1319461.75 2340978.25 2607194.75 2375812.25 1359106.625 1585257.375 3440061.75 3807108.5 3050604.25 2249139.25 2754705.25 4389941.5 2420837.75 3899383.5 2134582.25 4252927.5 1696509.5 2587549.25 3132357 2534034.75 2764991 3791699.25 1604366.375 2839526 1666879.125 3319254.25 3014722.75 2584171.75 2668750 4054315.5 1730386.75 2865937.75 1926835.75 3943151 2829699.75 2382170.25 4049858.5 2408171.5 1598312.375 2561402.75 2282649.25 3001075.5 2858063.5 2275308.5 2964311.75 1628724.75 1922621.125 2775876.5 2788861.25 2029447.875 1718852.25 3191081.75 2470280 3515337.75 2415716.5 3878667.75 2527322 2173990 3102695.75 3052252.5 2278648.5 PG(34:1) 2354039.5 1392190.75 1967823.5 2108636.25 1753505 1853450.75 1517508 563827.5625 298596.2188 446318.75 384209.1563 364265.3125 303747.6563 341835.625 313330.875 1389770.25 1557174.25 2119983.25 1493794 1302409 1330351.625 1700304.625 428782 379989.0313 373788.7188 376153.7813 407366.625 330966.6875 342369.0625 1221804.625 1996350 1385735.375 1509394.75 385535.5 313441.2188 317820.75 262537.9063 1942815.375 1811072.5 1724538.625 1192941 469933.8125 379279.2813 349609.9063 1313950.625 1121611.875 1701347.125 1338123 1769455.125 1383809.125 1136624.125 630278.5625 364912.9063 480812.5938 436225.625 315444.8125 361034.0313 259927.7344 1841451.25 1300588.875 1602884.75 1340233.75 1135467.625 1197732.625 1421037.625 418252.2813 365210.8125 377152.0313 372134.875 254834.6094 293007.2188 1084168.5 1436003.125 1167588.375 1617636.625 333444.0313 349194.4375 320535.625 294831.5625 1377312 1410333.125 488649.5 416265.625 405615.125 355971 2225457 1519602.625 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876270.1875 1247874.625 1331580 912388.625 1018439.438 1277976.875 1325438.75 1181657.5 973631.75 1435221.5 1505191.25 1454837.125 1194846.25 1618785.25 1387414.625 1196374 900263.6875 1568894.375 1461102.5 1613453.25 1374770.25 1057048.125 1184605 1792363.625 1299760.625 1499654.625 1097100.25 1120800.875 1298153 1055253.5 1463096.125 1754513.875 1418320.125 1406971 1118893.625 1289796.875 953930.5 871260.1875 1245437.5 1501411.375 1121206.375 1426433.125 1223185.25 1197098.125 1156186.5 927277.375 1414967.25 1663822.375 1135982 1007283.75 1468753 1305618.75 1245113.375 1245836 1278025.75 1605230.5 1454983.75 1117643.125 944770.875 1600462.75 1679419.125 1438000.625 1018389.25 Camptothecin 269705.4375 277813.5938 240224.8125 323986.5313 223995.1875 248926.7656 280448.7813 268880.1563 239980.4375 377747.9063 460416.2188 243440.5938 216448.75 164687.3125 287730 268092.9375 215528.8281 316345.0625 229231.6563 188220.9219 175481.8906 212788.9688 242845.5781 239804.4688 276616.625 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312070.8438 243346.8125 136078.2188 222821.625 233790.0313 303127.625 279022.1563 289693.9375 265782.125 306983.5 285279.25 212401.8281 296606.125 234465 260007.8594 307631.9688 279450.9063 268214.3438 161244.2188 350839 278965.8125 287682.3125 223316.75 226522.8281 260978.4063 329233.8438 264428.5938 299341.2813 329288.375 231067.2188 280594.25 173064.875 262761.5313 354573.1875 260697.5625 236926.4375 239313.7656 213354.5 273369.4375 187617.0938 284155.8125 289052.1875 266696.875 285389.5625 340428.4688 245991.4219 326127.1875 138594.1563 273292.9688 254703.25 276660.1875 275251.375 288863.7813 270273 284017.6563 326576.4688 259208.0625 293119.5 256945.6094 235345.7344 208971.3906 308487.5313 303572.2188 245884.6719 157515.1406 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 638775.6875 220256.3281 264387.625 287006.0625 279741.2813 181938.6719 275340.6875 37492.79688 0 0 0 48123.875 0 0 0 301295.0313 251596.3438 276403.5625 268211.0313 352956.2188 228816.125 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1876489.375 1506030.875 1331190 nicotinamide guanine dinucleotide 96531.5 71462.53125 74182.64844 99119.79688 63015.92969 69638.96094 100488.5 123312.8125 124503.7734 242013.625 209351.5313 117108.2344 140342.0313 45744.43359 108729.0547 84640.375 72516.97656 104172.9531 62766.67969 66408.03906 43639.73828 61636.01563 232359.125 137894.5156 216646.875 191607.6719 88947.85156 152877.8594 113389.2109 77493.52344 111431.9297 87768.04688 104731.6719 137522.7344 194092 142231.875 120755.5547 81891.73438 80605.60938 71929.32813 58122.49219 207796.4531 191303.2813 86226.73438 53980.92578 85800.39063 67385.22656 95221.57031 77075.51563 86445.72656 96661.74219 121406.4063 123488.7188 198545.5938 108268.9141 148867.0625 51571.79297 106256.3516 84288.28906 74204.17188 75746.22656 89335.38281 88193.46094 59158.90625 102020.4141 129987.9766 210482.9688 201837.1094 102894.9063 176788.3125 139486.25 90187.58594 98144.49219 78882.97656 83754.17969 110007.2188 242621.8125 153671.3906 126712.4375 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136951.125 108213.9844 74334.53906 60171.30469 89548.76563 47860.55469 104085.2344 164735.0625 86379.83594 32622.43359 (S)-1-Pyrroline-5-carboxylate 36902.78906 37674.61328 67204.59375 169688.3281 62816.94922 41587.46484 37291.24219 201086.6719 114345.1953 670138.5625 517160.75 90276.52344 37726.79688 25901.99609 46797.39063 42661.16406 54498.02344 143745.4531 60857.34766 33329.9375 30770.92969 25652.73438 1889635.25 111564.2422 576552.0625 473347 96355.34375 44621.35938 43570.22266 51987.14844 169859.6406 27270.62891 32084.66602 110579.0391 565578.6875 39015.91016 37719.48047 38535.55078 39441.90625 61494.75391 32120.38086 1061012.375 512528.625 111540.3438 28814.93164 29545.6543 49104.39063 147600.5938 69144.48438 41850.76953 41998.04297 207203.7031 130394.3594 541359.375 105692.4766 34429.36328 60458.90234 28196.25977 42838.00391 34396.58203 52165.20703 155331.7969 38760.32031 34411.45313 43163.61328 111956.6641 569848.3125 510309.125 142798.4531 57377.36328 41818.08594 30228.41406 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47331.50781 31704.80273 34345.5625 48852.73438 93045.58594 40026.91406 38303.05078 85451.69531 315778.3125 42936.92578 41399.31641 37616.83203 32759.92969 62451.99219 29186.59375 126259.7266 385756.5313 109825.5313 36963.13672 Met-Met-Met 344052.75 397366.0313 346033.9688 362308.3125 259483.9844 316443.375 393877.4375 392591.0625 331805.4063 508714.4063 515303.3125 406168.0938 448929.7813 310719.9688 471404.125 352571.75 301379.5625 327782.2813 249070.2969 270964.0625 282756.9375 306102.1563 317799.9063 407647.875 417510.5313 456971.4375 375329.5625 513169.2813 427990.375 405228.625 359955.8438 314085.375 421013.5313 353925.0313 490621.5 550210.875 403968.2188 406502.6875 383318.5313 317591.625 344568.5 379568.0625 384912.3438 367644.5625 234485.9219 385015.6875 362722.25 324997.375 279459.3125 319922.0313 381303.125 364910.0313 370114.125 400180 430852.3125 534961.375 284463.5625 448799.6563 362346.0625 423941.4688 303859.875 341551.3125 312371.125 312132.25 387589.2188 377827.9375 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818685.625 1072037.375 887084.375 1536692.25 1301557.875 1558429.375 1325648.125 1458059.5 1407925.125 1124045.5 859517.0625 Cys-Leu-Cys-Tyr 239035.125 347870.1563 302163.9688 267577.2813 229158.6094 214358.4219 261020.4844 238494.7188 225679.8125 194617.4063 227673.7656 220245.5625 155128.1563 198683.8906 219537.0313 273634.6875 177850.8594 292018 209426.1719 204233.0625 229273.875 257160.8906 181763.5781 176948.7188 183308.0938 191173.1719 142467.1563 221951.0625 189252.1719 281222.375 252524.7344 231338.7344 337569.75 201481.4531 196869.4844 236161.6406 194554.4531 221627.0781 222892.75 214162.7813 285151.5938 265230.625 204986.7656 199973.1719 323160.5625 289628.625 215149.2656 200330.5781 215603.4063 268338.2813 306325.9688 362399.0625 205950.75 205214.0469 224575.7188 179245.8906 170855.9688 222635.5781 303582.8125 275574.8125 295317.1875 220112.5313 242583.3906 283048.375 326431.4063 213525.6094 172790.4375 206648.5938 138285.5313 275271.7188 220242.4063 328105 240173.4844 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262353.9063 274003.0313 230527.3125 249096.0938 320096.0313 276284.375 203089.1094 242565.8594 337675.25 308715.9375 252322.9531 236818.4688 291645.5625 203777.4531 241070.9844 194440.875 205505.5 PI(38:5) 463408 600719.5 379852.4375 582942.5 378675.4063 556096.0625 394554.0938 444494.6563 427703.5313 398417.8125 602104.9375 304477.4063 514744.6563 562587.875 448837.3438 414550 307532.0625 571181.25 358432.8438 357838.6875 530643.5625 425705.7813 375193.75 552617.625 286616.3125 612532.6875 255597.7813 293096 358532.2188 524211.875 639119.25 363358.6875 458311.7188 569306 627321.6875 387328.4688 403026.0313 462503.0313 442263.2188 288541.7813 418016.3438 414789.8125 347570.2188 304812.3438 368008.875 651555.25 370307.2813 455351.3125 262962.125 466423.5 404127.375 283012.8125 511781.5313 310137.4063 368473.1563 362085.0625 601039.8125 406909.3438 588483.5625 651327.875 601780.875 476245.2188 425369.75 596150.625 444489.625 615880.0625 303925.3125 656693.5 334742.375 331719.5 399082.2188 639426.3125 441028.5313 403057.875 497652.875 544653.4375 781779.5625 356154.6563 261483.1875 357345.4688 335171.875 279444.0625 325376.75 304797.75 447304.8125 566811.5 754127.125 386501.375 645682.9375 456556.0625 375504.9375 520787 572462.6875 382462 615201.5 325662.7813 291895.9375 388058.7813 281125.9375 419842.2813 557983.125 318842.875 459578.0625 299463.4375 515754.7813 404474.5625 383567.5 559806.8125 321542.375 580042.5 279557.1875 362195.3438 511717.5 406853.375 516369.875 684379.375 397659.75 390149.375 567928.9375 526832.75 430563.1563 398442.25 461771.625 347412.2188 306594.5625 449296.25 327907.9063 319825.2813 678038.125 423556.375 613183.5625 371462.5625 351069.0313 554408.625 429275.6875 467371.3125 557492.9375 351931.7188 482755.4688 310839.6875 390777.75 516408.4375 430765.0938 521728.125 679582.625 409400.4688 545343.25 381453.3438 414636.4063 527826.125 598590.6875 317898.4688 613925.5 306876.0625 526511.9375 364702.6875 432355.4375 590845.625 373828.9375 718774.75 556068.75 452290.0625 465151.0625 611687.5625 511997.4688 438530.1875 411683.9688 487041.3125 482392.625 304000.9375 690862.1875 318392.7813 303910.75 275288.2813 455191.0625 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide 141086.375 105048.3438 102640.1563 36777.42969 104838.2109 81651.82813 104243.4453 92148.59375 83291.375 155070.3594 103076.5391 98855.98438 77080.75 0 0 131429.0625 114955.8359 25988.95508 100280.4219 72533.94531 21229.04297 132212.2188 165543.5625 88458.57031 112410.4531 0 100942.1406 98069.78125 0 71335.42188 0 83079.5 113401.6094 127756.4453 0 101162.8047 0 101599.7734 149759.7969 102847.8984 0 182638.9219 145039.3594 110258.0313 109346.7813 86864.52344 100259.2891 60452.24609 128307.3828 117357.5156 118956.0781 93263.32813 29559.06445 177340.125 128873.9531 0 0 62831.58594 116917.2422 70595.45313 145570.0938 85154.08594 93366.82813 0 105856.6406 37439.54688 115374.9219 84577.60938 121172.1797 102508.7813 0 52536.40625 42684.41406 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130830.9609 144777.0781 67196.24219 Quinate 2196681.25 913719.8125 1675403.125 1079853.75 1931309.125 2236546.5 2899324.5 3527286.75 1344912.875 4393005 2580317 3031226.75 4707459 809379.25 4721550 2110474.5 1501951.5 1039440.75 2002247.75 1918856.125 672079.0625 2227544 3123862.75 1389479.625 3504613.75 2098064 2738788.75 5168410 4236488 734142 1429648.75 2293500.75 3234812 1321694.25 1924858.125 4995604 3894097.75 2046568.625 1535760.75 1736585.875 991748.8125 3594999.25 3063391.25 2684885.5 1858253.25 838834.1875 1436012.5 900453.875 1928236.125 2310923 3023443.25 3991791.25 1470030.375 3149771.75 2779660.75 5375462 816912.8125 3549103 2472786.5 756662.8125 1361606.5 844278.1875 2171531 671285.75 2492716.25 1477665.625 3185927.75 2099478.5 2627602.25 5207560.5 4415728.5 794294.1875 842956.875 2352298.25 2589451 1463137.625 2052552.625 5259837 4071349.25 1504601.625 1804512.875 3395047.5 3125325.75 3045864.25 941782.0625 2087061.5 791428.6875 1771719.25 1219342.375 2152458.5 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145843.7031 180420.875 137459.0938 192232.3906 86124.89844 203509.5625 111528.6328 164462.2188 64316.09766 91520.73438 93861.38281 88796.95313 119816.5156 126466.5391 191648.2188 249968.7656 241914.3906 134147.3438 220025.6563 257469.9063 134412.5 146996.375 111223.0156 105162.3984 177770.0156 206195.0938 178010.2656 236415.4844 98903.02344 122016.4219 73820.36719 72663.14063 206558.6406 201810.9219 136941.6563 126042.1406 104819.9063 125387.125 76047.32813 130783.7578 94738.57813 98933.52344 263732.8125 241841.1406 212083.3281 125479.0781 199541.875 125926.1016 118693.5625 143658.8281 94467.32813 162334.4375 77143.02344 121903.7109 75356.03125 90562.57031 268471.9688 231671.5 432895.4375 128437.8281 316544.6563 136481.25 92100.65625 97817.27344 134528.4375 92733.01563 221948.4531 177397.3281 282037.125 92083.96094 108835.5703 112123.1719 256545.8281 232687.75 111728.5938 124604.5859 107612.2813 88772.91406 107086.5391 128598.2656 71132.13281 82007.08594 107918.9375 86735.44531 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266655.625 119607.9297 89593.77344 101032.6484 98389.48438 99799.58594 121259.7266 658275.0625 264689.0938 586909.0625 538356 476145.5938 347555.75 298283.9375 286422.9375 221668.875 100774.5703 92414.76563 103532.1797 86567.79688 99607.92969 92142.91406 460944.5313 415486.125 408131.0625 435809.5938 464440.875 401039.0938 328962.0625 112563.0703 101276.8984 117662.2188 127000.4609 335201.2188 329326.7188 421040.5625 313375.375 173273.3594 112330.4766 108125.0391 117591.3516 587234.1875 434168.2813 350414.4063 160028.3281 135515.8906 129346.3125 85299.36719 144997.5781 144443.3438 94678.39063 736932.5 364364.5938 504821.5 372705.9375 373504.75 387734.8438 226770.2344 218872.5938 122209.8672 135262.1875 101038.1094 117245.0547 109603.0469 83878.26563 442561.6563 475349.75 521206.0313 335801.9688 411342.9063 291117.0313 125307.9141 96935.90625 125884.8047 84855.50781 449155 573555.8125 405437.0313 235594.7813 119230.8906 126078.3594 824250.8125 404943.1875 389667.4688 439498.4375 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668239.3125 442389.5 439324.75 380117.9688 N-Acetyl-D-glucosamine 6-phosphate 377871.1875 388905.0625 308866.9375 336283 242928.9219 412279.1875 558147.5625 314956.4063 323596.6875 330769.4063 419407.9375 284391.5 563578.375 262710.7188 640475.375 317337.7188 280686.5625 348595.0938 272458.5313 373859.75 282247.7813 458793.3125 291646.5938 411881.2813 365072.1563 423304.375 249405.6094 693236.25 587297.5 379492.9375 333176.4688 500910.4063 606773.5625 387504.0938 415096.2813 711068.625 505883.125 334058.5938 314563.25 262434.0625 340331.25 309885.75 297205.6875 287287.4688 325626.9688 431594.4063 313014.4375 309167.5938 259374.6719 516086.125 558357.8125 405713 369806.7813 289161.1563 261339.0469 710432.5 286829 523071.625 365813.5938 377361.2813 248916.6406 319648.1563 459221.6875 322903 625356.6875 423869.6875 324170.1563 424914.8125 253615.8125 849145.75 613857.9375 418093.125 329523.3125 484892.9375 474158.0938 418537.7813 428870.5313 753951.0625 469781.5625 271977.5313 241573.7813 449655.7188 330975.25 248484.4688 321716.3125 372116.0313 378603.125 295904.9688 344507.1563 281533.9688 444065.5625 334113.5313 519868.9688 347186.4688 346901.875 299929.9688 271939.875 679339.875 546813.625 392182.25 376606.2188 293890.625 340414.4063 288821.5625 484914.9375 601229.9375 353306.2813 410777.9063 339811.625 423818.125 305581.0938 689422.5 314912.8438 529858.75 372665.9063 369155.9375 497743.375 548697.9375 405363.5313 370017.5938 593138.25 591462.9375 329358.3438 261989.4219 271527.875 342634.4688 343596.0625 274009.2813 294888.9688 367985.4375 358024.4063 259342.875 246021.2188 465155.1563 597063.6875 354293.375 405061.4688 306713.75 383091.625 231162.1719 720194.8125 324808.9688 607364 359431.0938 354870.9063 273390.9688 354131.8438 262461.625 486811.125 299522.9375 486035.3125 418389 403500 329398.9688 427005.375 305595.5313 695841.5625 324362.5625 535819.0625 359436.3438 365097.8125 430856 530880.5 449975.8438 373223.3438 779798.4375 588690.0625 321450.9063 257946.5625 248423.25 263685.125 389865.4375 319794.625 287871.1875 298187.75 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 3770682.5 2759034.5 2652998.5 2743824 2524901.25 1899439.25 1995461 3027352 2378792.75 3535668.25 3334346 3070953 1943515.75 1879823.625 1725847.625 3257006.5 2521893.75 2888051.5 2453694.75 1856215 1928999.5 1406743.125 2391295.25 2812386 3275815.5 3134705.5 2618054.25 2303352.5 1655886 2618951.5 2743030.5 2393157.5 2139757.5 2630951.5 3111619.25 2155391 1611858.25 3201815.25 2679934.5 2611874.75 2382213.25 2985197.5 2695725.5 2730441.5 2799115.5 2772974 2540928.75 2439092.75 2503129 2227509.75 2029516.625 3363646.5 2629616 2871551.75 2840019.75 2224137.5 1800242.875 1464933.25 3499547.25 2690953.25 2508935.75 2305463.5 2007269 2298693.75 1719884.625 2413582 2783793.5 3183159.5 2460986.25 2472394 1696639.875 3036379.25 2346174 2096380.75 1598451.625 2495847.5 3810275 2182175.5 1577615.875 2510540.5 2492851 3231099.5 2926882.75 2739690.5 2171651 3518876.25 2726645 2716253.5 2787647.25 2657501.25 2056141.5 2475819.75 1768582.25 3425312.25 2688154 3004064 2770407 2658947.5 1725887.125 3302057 2601505 2626086 2410263 2640632.5 2138336.5 1856031.125 3307970.75 2869947 3141654.75 2761820.5 2970396.25 2198568.25 2027689.375 1632976.125 2797963.75 3356176.5 2214956.5 1836549.25 2784299.25 3280330.75 2174851.75 1528648.125 3200929.75 2470405.5 2602246.75 3138790.75 2745914 2697179.5 1914617.625 3525094.25 2833790.75 2536755.5 2911563.5 2029762.125 1997978.25 3155094.25 2831411 3048906.25 3030631.5 2647493.25 2154834.75 2210844.25 1840777.625 3766086.75 2841329 2461092 2655410 2557139.75 2148518 2226147.75 1817593.875 3210476.5 2699615.5 2769052.75 3288535.75 2770283.25 2324381.75 1868494.25 1734826.125 2750432 2755340 2141865.25 1965436.5 2535302 2785500.5 2273157.75 1791223.625 3369685.75 2313454.75 2937113.75 2377494 3154249.25 3169373 2900589.25 1801890.125 N3-fumaramoyl-L-2,3-diaminopropanoate 150640.4688 207265.8594 102836.9688 202180.9844 97838.90625 132510.1875 124934.8047 122801.7813 188443.5938 137257.8438 246380.375 125452.4531 111313.7969 168448.5156 116784.4688 137045.9375 98671.16406 202867.75 119237.0547 129753.5703 120242.4766 97722.24219 99612.10938 208790.3906 120204.1875 259938.8906 127525.8203 134973.7188 109461.7578 200771.0625 189028.25 152618.7813 130440.7656 212053.4063 234212.6094 133858.8125 99379.57031 130435.7344 97321.38281 111112.0078 164805.0313 130063.2109 109888.6719 104394.8672 120726.6719 198266 91292.72656 190528.2031 108446.9219 130923.3672 126920.3438 132143.3906 189451.5781 129742.4609 116962.2188 145631.8281 140469.2969 87442.44531 139599.7188 191645.9219 101947.8828 187843.1875 129821.9375 149145.0313 112454.7031 209256.9531 106156.6719 225408.125 114267.1719 144993.4219 102557.0781 202477.6719 188750.4219 145803.0625 98263.6875 202868.9219 277715.0938 133939.5 102959.6484 93003.39844 97388.38281 135939.7813 114884.625 125365.7734 162811.5313 142257.3594 189436.75 91269.08594 198588.3125 109741.75 132826.1719 165296.2344 122046.7734 120790.2344 193124.5469 106500.1875 117140.5234 149023.0625 105059.7422 125390.4531 211744.4063 90180.03906 183315.0625 112567.3516 135778.1719 129808.6797 133285.6406 192551.7969 122271.875 237941.5469 132967.6719 138129.4375 153454.0156 108781.1719 199233.5 208031.1719 145249.9063 131132.9219 204304.1875 273404.6875 115862.5859 93704.76563 117534.8203 99931.39063 114505.8281 134460.6094 116436.5625 120896.7891 156931.4375 131558.0781 194952.5625 99836.95313 117946.2188 143112.9219 125421 115588.6016 209511.2969 123702.9766 239475.2969 101473.1797 133425.1875 152528.9375 110917.0703 135640.1719 204941.4219 92836.77344 197799.9375 104956.3438 139886.9219 158866.8594 126213.6797 125341.6094 176964.2031 115932.6641 256407.5781 124789.2656 131507.3281 139374.375 116639.6406 189412.1875 195587.9063 137926.1406 120274.3125 178805.2813 227792.3281 126705.1797 102740.9063 143043.7656 82354.03125 111657.1641 157110.5313 121079.8203 117726.7578 123355.3594 144982.9844 N-Succinyl-L-glutamate 292784.7813 308573.875 385520.3125 681637.125 404844.125 301811.875 346791.3438 0 0 0 0 0 0 0 0 291078.8125 325752.4063 514447.3438 408306.9063 330774.3438 254583.8438 299011.6875 0 0 0 0 0 0 0 357119.2813 560672.9375 374535.875 400007.9063 0 0 0 0 279261.25 359117.2188 442444.375 327655.7813 0 0 0 237420.1094 336685.3125 257868.1406 387566.3438 327198.1875 377592.5313 415687.4375 0 0 0 0 0 0 0 309633.25 286217.4063 289851.2188 316134.4063 487309.6875 227335.2344 291745.5 0 0 0 0 0 0 252009.8438 404736.4688 394326.5938 263901.8125 0 0 0 0 243122.4531 365657.875 0 0 0 0 364202.6875 341995.8125 372998.625 695443.5 441099.9063 492559.9688 391743.7813 357935.6563 0 0 0 0 0 0 301933.3438 318133.125 285023.5313 396216.5625 422966.5625 491996.75 395458.9688 0 0 0 0 0 0 0 0 399333.0625 541649.9375 432605.3438 426415.9063 0 0 0 0 333581.875 333147.5 404419.2188 0 0 0 0 283795.625 348563.3125 334688.8125 440909.5 420036.5 431845.9688 0 0 0 0 0 0 0 0 395944 367266.2813 317080.9688 349746.6875 396682.125 345185.625 276192.7813 331572.6563 0 0 0 0 0 0 0 0 335190.9688 321843.2813 399924.4375 389156.1875 0 0 0 0 279910.3125 249454.2031 388964.2813 324571.9688 0 0 0 0 alpha-Irone 649971.75 1382434.25 1162469.5 1533462 1793651.75 1314521 1425620.625 728759.1875 672593.125 1137326.875 1095946.625 1042824.625 981478.1875 901130.375 956742.5 1030201.313 1135171.5 1324031.25 1318348.875 862091.9375 1026394.5 1557099.375 819063.4375 678334.25 1066905.75 834677.25 1072747.5 859484.8125 1046818.25 1392849.125 1168005.625 1026170.125 1342085.625 886523.875 874941.375 795681.375 1012131.438 1277384.75 1144921.625 1431491.625 1051233 838052.6875 1098636.875 1175186.125 804771.0625 1039641.563 3387289.5 1507087.875 1273827.625 1163858 1563907.625 532867.75 957269.5625 1253041.625 1197169.375 1111511.375 989635.75 1116463.375 786585.125 929459.625 1376870.25 1544237.125 1027201.188 1558066.25 1588031 816005.0625 1192189.125 1157537.625 1093359.5 1039298 1214220.75 987954.875 1554522.125 1158311.75 2234184.25 791901 1428357.125 1092624.125 1159338.375 1406727.5 1637381 459708.6875 1161897.375 1373615.875 822146.5 976080.5625 1257680 1216344.25 1427578.5 1756197.125 1409711 1109535.75 1495990.625 931761.375 858046.25 1082316.625 1084754.75 954790.3125 929181.5 1026959.313 1540432.875 1271116.625 1126616 1486048.125 1166773.875 1260636 762124.375 690260 1152143.5 1123234 1223292.375 823530.1875 695718.75 1057163.375 1065535 1473429.625 1135210.5 1260067 854187.375 1029588.75 1116614 1071521.375 1212573.5 1144735.5 1468692 742902.75 969104.0625 1290981.25 711628.625 1359962.875 1205824 1167877 1368548.625 997533.5625 1521190.5 703205.0625 809605.0625 871663.8125 1132430.5 1293023.25 893988.25 699075.125 929082 1167000 1135884.375 1206364 1372608.875 1490271.25 1117196.25 962556.9375 1830395.5 898728.9375 824942.6875 974674.3125 1279714.125 1108369.75 899297.3125 565004.3125 1073800.5 1262406.875 1267717 1193914.375 1399362 900835.3125 924883.125 1044577.813 928722.9375 1379528 1178700.5 1342454.125 1000708.25 794733.8125 932193.6875 1077480.5 758011.8125 PI(36:2) 1659468.875 1216841.5 1105280.625 1276008.875 1233725.5 962558.4375 908252.8125 544343.8125 453976.0313 504494.875 609850.1875 497119.2188 455737.25 593280.25 328346 1226738 1037239.25 1447861.75 1044546.063 698983.6875 1008204.938 991698.9375 503913.9688 466418.5 476698.625 584220.125 402108.7188 294137.8438 335608.25 1092568.125 1426022.25 886400.75 981701.0625 498171.5 661129.1875 301843.0313 367602.8125 1073911.25 1335123.625 1216100.125 1037275.75 677032.875 440610.2813 383365 1145140.875 1236590.625 1068231 897721.8125 970202.625 864946.3125 924023.5 567365.5625 541057.6875 544578.6875 468138.75 361284.1875 687308.75 312805.875 1527153.5 973109.75 1500632 977814.375 714511.75 1156856.75 830003.1875 683645.1875 480503.1563 647286.5625 519679.2188 321314.75 305664.5938 997120.875 1187500.625 853317.1875 998959.5625 678502.125 640649 291912.375 286740 1024508.313 1011775.438 470977.1563 454309.25 478035.0313 446601.2188 1632426.875 1104948.625 1075065.375 1454489.75 1249468 861512.0625 1030221.875 1154937 690858.1875 604641.9375 414244.375 395812.5938 309648.9375 266759 1053037.875 996398 980238.5 1036745.938 1029205.188 969604.875 808494.25 1067926.875 545201.25 508205.1875 665787.8125 324406.7813 318603.2813 598875.1875 449893.75 1021329.688 1464684.25 941414.8125 1017795.063 500292.25 639912.75 426486.7188 344670.25 1412570.875 1016471.688 1078346.75 581075.875 507736.6563 517931.25 665964.9375 1353066.875 1201831.75 1326301.125 1088382.75 896308 881252.5 722741.125 523037.0938 520542.7813 470208.9688 496412.1875 376953.8438 501589.2188 269842.2813 1711974.25 1456932.125 1078131 1135650.75 1201258.625 990744.4375 913871.625 1044231.188 559496.1875 551760.875 399293.4375 606572.375 432169.25 334978.25 537705.1875 353987.0313 1093086.25 1440980.125 922538.9375 896396.0625 596164.5625 540428.9375 318380.375 308676.8125 1126649.125 1238061.125 1051707.5 1269088.375 556555.4375 487719.0938 455259.5313 548245.375 PG(36:2) 1930917.75 1381958.125 2137013.25 2115983.75 2037660.375 2173715.75 1593832.125 248741.8906 153796.3438 242311.375 235626.4844 223996.8438 127548.8047 153735.3281 149142.2813 1437826.375 1769859.5 2282379.75 1569018.25 1455457.375 1661854.75 1749345.125 240243.6875 189386.5469 212552.4219 149752.0938 216207.75 175754.75 230385.3125 1380397.375 2032984.125 1635469.75 1626931 204851.8906 170264.8906 194334.5313 168654.1563 2201373 1904543.625 1869274.875 1485701.375 183404.2813 226824.5313 168896.3906 1074196 1326098.75 1681769.25 1432776.25 1814084.75 1657413.125 1140116.875 250538.3438 190829.5781 247334.0938 201242.6563 140923.4531 200062.9688 191031.125 1755327.125 1293982.75 1779739.5 1387632 1272073.5 1492615.25 1450371.75 186470.7188 247356.8125 175932.8281 177002.0938 157770.5781 171906.9063 1208548.625 1576322.125 1249833.5 1614499.875 198893.5313 176394.25 150966.2344 142325.8125 1413531.875 1615985.875 237677.8906 259520.5469 237234.7344 141007.7188 1930464.25 1669919.875 2055752.5 2645361.25 1816421.25 1768552.5 1774234.625 1873865.375 207817.2031 183229.6875 212564.0625 213940.6875 186186.3594 142300.7031 1865029.125 1768596 1862720.125 1892273.375 2059963.25 1546017.75 1532996.25 201334.4531 141334.5781 195606.4375 130221.7656 187659.625 162911.2656 122740.0625 188497.375 1348969.625 2504691.25 1709371.875 1586658.125 158237.7813 150884.7656 167598.3125 109903.3047 1489222 2013195.125 2086996.125 208085.1406 212184.9063 201369.0156 190914.9688 1462356.625 1409594 1998543.25 1983247.75 1398571.875 1745028.375 231328.2656 190683.375 240855.0156 145950.2813 223597.9375 183072.5781 164766.0469 164736.7969 1862397.375 1668335.75 2321267.5 2067819.375 2956495.75 2065264.125 1842137.75 2136594.25 219940.625 168952.8438 212339.4219 161128.1094 211238.0781 188159.5156 182093.7656 130164.1094 1718022.125 2595250.5 1714945.25 1582013 174801.75 138860.1719 198341 190765.1563 1999554.625 2130896.25 2271679.5 1596635.25 261563.5625 267108.9063 183877.5469 136285.6875 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 3556410.5 2267893.5 2362333.5 2176208 1766106.875 2312192.25 2536657.75 4723525.5 2110670.25 6022636 4202262 2909054.5 3106622 767183.4375 3003044 3331841 2102166.5 2420464 1926083.75 2084192.375 1498593.75 1781578.625 6876552 2301019 5205651 3917002.75 2965048.75 3232165.25 2942090.5 2313684 2184814.75 2732916 2456928.75 2241858 1956569.375 3954560.5 2511758.75 3182047.5 1873639.5 1914339 1980499.75 6416992 4384590.5 2778567 3050303.75 2179485.5 1925505.5 1651947.625 1734922.625 2499421.25 2344463.25 4533024.5 2368442.25 4662354 2740338.75 3180429.5 769936.625 2709520.25 3416477.75 2174562.5 2095059.375 1634747 2101850 1487918.125 1942423.625 2156145.25 4454631 3777753.25 2812058.25 3628125.25 2928215 2228879 1760492.25 2273655.5 1807012 2054978.625 3760398.25 3037064.5 2673664.5 1721042.625 1725361.875 4225630.5 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2322699.75 2817313.75 2083087.875 3214227.25 2059124.375 3094332.5 4007769.25 1574531.625 2197353.5 1939964.5 2901667.5 1412478.75 3746835.25 1309092.625 3434612.25 2199532.25 1880743.5 3333884 2110061 3074660.5 1739863.375 3147604.5 1401322.5 2398634.75 1689864 2646013 1265556.375 3697333.25 3521175.75 2873165.25 3118779.75 3604366.5 4210888 2054277.875 2693422 4197351.5 3203993.75 1951005 2026360.25 2025351.375 2131016.25 1523574.125 1358487.875 1358542.75 1774939.375 2690098.5 1946471.125 3126762 2174700 3466678.5 3804341.25 1718639.875 2107305.75 1593617.25 1302400.125 4189889 1266617.25 3062062.75 2218231 2562398 2011850.375 2464375 3384870.75 1773925.75 3994066.25 2034106 1554439.25 2692156.25 1259631.5 4445102.5 3391222.25 3129873.5 2846487.5 3754687.75 3151468 2422449.5 2706767.5 4114008.75 3134211.75 1957754.125 2004469.75 1718111.125 1738013.75 1283672 1806756.5 2173756.75 2868409.25 2173147.25 2933546.25 2145978.5 3288465.25 2224306.75 4137090.25 1527328.5 2305874.75 1590624.875 1312293.625 4618098.5 3542729.5 2079151.125 2776822 1877401.375 2996286.25 2053985.375 3651856.25 3936137.75 1560663 2252361.5 1464643.375 2465743.5 1606287.25 3835630 1368785.125 3165205.5 2831631.25 3264349 3362958.25 3734167.75 2115515.75 2618245.75 3573756.5 3383087.75 1949238.75 2008758.5 2104680.5 1488111 1453882.875 1296454.625 1378561.375 2109954.5 2836867.5 1884885.875 1882003.5 3611995.5 4083179.75 1734653.5 2226455 1718280.75 2699468.75 1208547.25 4009555.25 1523446.5 3528943.75 2320846 2961136 1663995.625 2885174 1742914.375 3899618.25 1960474.875 3761637 1561986.375 2292849.25 1371172.125 2437282.5 1493722.125 4195803 1241839.375 3308464.5 2712528.5 2985949.25 3606482 3886527 2101051.75 2404008.5 3766609.5 3515441.25 2122426.25 1610824.875 2219247 1683226.25 1512622 1582824.875 1344977.25 1277468.25 N-Acetyl-beta-D-glucosaminylamine 108734.8125 89529.33594 61143.05859 66757.00781 53204.5 54933.10156 68756.73438 52044.54688 62479.91016 38950.91016 53274.48438 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132954.2969 157128.2813 107285 133840.3594 98020.20313 163661.5781 121687.7344 143372.1563 138856.9688 148436.8906 88403.77344 Bergaptol 240564.4375 283728.9688 228154.6094 163779.6563 151764.2969 147731.9219 113851.125 152178.6563 195470.4063 111681.6016 95530.10156 116036.7813 138492.2031 118845.4297 88554.85938 273810.5625 220607.4688 139588.9531 147357.6719 141252.1563 149843.2969 126164.2188 134763.875 203079.5 173110.2188 115923.7109 110261.6719 116496.1875 97617.42188 211748.5469 157821.0313 122022.25 110595.8672 180508.8594 95845.8125 119395.8047 106744.1094 225418.1875 228372.3438 149371.4375 150629.4219 160089.1094 147113.3438 109328.6797 255989.4531 243261.2969 246274.25 165222.8281 157950.0625 125765.8828 118744.2734 157318.0469 214505.0625 126963.2266 136979.0156 172214 109250.3672 94061.58594 207955.7813 249678.4375 239642.3125 170921.6719 151678.5313 126430.2031 118450.8672 230995.6094 135182.0469 108695.3594 132816.4219 154407.3906 101838.25 269095.1875 164407.5938 150281.0781 128688.6094 215387.6094 105805.8828 211015.0156 121254.8047 252522.4063 181294.5156 176055.1406 148981.3281 96411.96094 122227.8516 198854.0938 241326.5156 204808.25 124552.2109 131982.2031 132268.4844 128885.8672 93964.60156 180824.1875 183805 130179.5156 136543.25 98388.39063 99498.71094 234942 277303.3125 198733.5156 139539.6875 135459.6719 130866.8438 122076.9609 168571.875 187225.25 144392.375 114216.5703 118120.4844 140246.1406 155905.1094 105683.7734 274849.4063 145469.4688 114012.8047 114187.6719 204648.1406 116796.2266 120313.6484 104377.0547 220311.8125 207811.4063 156019.7031 152684.8125 135818.8594 159384.5781 136499.1094 203560.3594 236523.5469 190186.8906 165061.0781 129441.5078 103551.5781 167314.9844 168191.875 118888.5938 100067.8281 141600.25 128269.125 115035.1172 135864.2969 228970.9063 237356.2969 184364.5313 138936.0938 162947.6875 94641.84375 144169.2188 68757.57813 188956.5 236248.7031 101223.4609 115085.5703 124082.7656 110047.4844 132840.2031 108859.6016 206984.8906 134504.8438 119604.8906 106639.9844 204667.5625 108625.5469 136462.7656 108536.5313 206793.2813 187311.9688 133813.8594 149097.5313 167432.3906 100926.5078 128152.8594 123381.5469 L-Fuculose 1-phosphate 100668.25 176840.9063 79806.03906 190665.125 101683.5781 79470.73438 77206.99219 89842.26563 116782.25 106307.7813 162874.2188 68389.0625 68901.82031 84688.07813 78239.14063 93669.27344 94576.74219 171636.9063 105183.3594 84226.90625 118930.1172 58955.79297 149480.2188 123261.8906 81441.47656 153645.7188 81125.58594 82162.64063 67645.76563 160079.5156 171588.8125 101134.6406 77320.88281 117043.7578 147617.9375 111203.4922 71162.89063 120016.875 88125.34375 94990.26563 163669.75 115985.0859 93600.9375 71331.92969 93592.97656 144724.5625 81796.98438 168569.3281 84742.35938 95003.14844 95677.82031 71840.25 128801.0313 95191.71875 66425.70313 88331.38281 98429.59375 58610.29297 116918.5703 173239.4375 82854.04688 183731.2813 137603.4844 150861.5313 71746.26563 97491.79688 78143.45313 150473.6406 59739.23438 100151.8281 76864.57813 181246.7344 150772.4219 98694.09375 58118.38281 128382.2266 180799.0938 86513.53906 66539.77344 78834.35938 91234.13281 71084.92188 96360.60938 57331.42578 85111.32031 107829.0781 198641.2813 95023.5625 178075.875 98788.75 105493.5938 186456.6094 99912.24219 71610.90625 133929.5313 91462.40625 58812.28125 101011.3281 73670.28906 103959.2344 172825.9531 87059.39844 185096.7813 97330.8125 92166.14063 105236.2969 75442.70313 130887.5234 89821.04688 183702.6406 67812.63281 81074.1875 92951.48438 67501.59375 178996.3906 169414.8438 109010.1016 115362.7266 135613.1406 162908.3594 92591.92188 63421.34766 98822.38281 78285.89844 99307.67188 73924.875 75691.67969 65594.98438 94454.5 120417.7031 157757.2344 78448.96094 98897.67969 131517.9688 90275.07031 62446.89844 132419.125 81983.51563 149041.4844 63870.90625 80197.97656 86359.63281 72044.84375 115341.7891 170477.5625 70881.88281 169980.5 85113.59375 103374.3438 139777.9375 99529.125 76999.83594 121645.9453 75690.77344 153322.1875 81516.03125 77321.99219 91019.6875 64292.625 191807.8438 203370.2813 100920.1406 80814.98438 127017.125 158063.3594 68257.28125 80435.25 116277.8047 79874.71875 90856.47656 169677.875 80691.22656 91674.48438 67397.79688 84427.85156 2(alpha-D-Mannosyl)-D-glycerate 629997 1132523.875 687807.9375 1230596.875 479629.125 3176531.75 4748453 547518.5 1155348.625 734792.5 2032036.25 482724.0313 5901514 810856.875 6368316 610225.25 482179.1563 1208432.75 480605.875 3613444.75 766243.625 3741051 596491.5 1556713.5 820079.6875 2194737.25 458877.6875 7274176.5 7086144.5 1269798.75 1191621.5 3785272.5 5225132.5 1457549.875 2012934.625 6858702.5 6150479 539679.3125 577878.625 479356.0625 942147.4375 560435.875 684426 450365.1563 534970.75 1234627.375 534614.375 1109445 490973 3992850.5 4684541 841628.8125 1224092 653858.5625 484576.8438 7450969 758939.3125 4071713 677489.875 1250180 532556.375 1137143.875 3893487.25 838269.375 4361613 1464036.5 817431.875 2009984.75 516831.875 8991596 4650279.5 1335300.625 1220437.125 3995442.75 3874844 1566317.625 2284796.25 8259509 4410102 484331.0938 452096.7188 804983 722079.875 430944.5313 1067881.125 541447.1875 1192486.625 481012.7188 1113441.875 449643.5938 3450595.25 848269.625 4531086 568504.375 1313100.5 606370.0625 492120.0938 6055745.5 5647371 570721.5625 1454381.75 470105.0938 1053176.75 488393.9688 3578885.5 5055364 629828.75 1814191.875 759679.125 1591851 750444.0625 7249912 1094889 6015650.5 1185840.625 1266938.125 4097987 4903385.5 1482561.125 1651618.25 6406191.5 5025566.5 525399.25 474902.2188 467680.2813 641271.5625 740336.25 549214.8125 955895.5 592956.0625 1168178.125 402295.8438 466444.3438 3106115.5 4627628 624498.375 1513583 691109.5625 1324379.875 534089.6875 7208154 1082525.25 5529077.5 654803.6875 1192207.75 465110.5 1168486.875 453761.875 3249890.75 746012.8125 4267614.5 863137.1875 2011418.875 761206.875 1840513.625 671401.625 8580234 1177308.125 5955824 1131495.625 1147617.5 3633084.5 4336606.5 1865431.375 1517984.875 7570878 6189583.5 595553.25 441500.5625 499944.7188 767077.875 708966.4375 678942.625 675026.875 889273.4375 (-)-Menthyl O-beta-D-glucoside 74551.70313 144286.6719 113005.3828 133091.9063 102358.4766 136377.1875 135976.7813 56844.19531 130483.375 120359.0313 181876.2969 105966.2969 136461.6563 94454.69531 116484.7656 65866.89844 93360.60156 133496.3594 99389.67188 146251.0313 102066.2656 117050.125 90379.38281 139518.9219 96013.91406 152561.4063 105972.5938 136005.25 101711.6016 129252.0078 165135.8594 127555.9844 105754.3516 140708.7031 176453.8906 134274.2969 116139.6953 69851.3125 111098.8281 117753.6328 99611.82031 77253.50781 103151.0078 108953.1172 73725.75 133156.6719 106395.5938 133279.3438 94105.21875 146951.0938 120865.4922 63516.40234 149694.0938 117393.4453 95957.21875 147065.0156 118455.0156 106101.6094 63451.69531 119051.9063 98976.03125 110545.1172 118619.6797 118261.9375 123184.7656 178463.2188 111537.875 161847.3125 113031.3906 137266.3594 131350.7344 146418.5625 101659.5703 123208.1172 122719.8203 149406.2656 193388.2813 139478.625 127709.5938 103939.8281 106345.5156 60216.61328 96418.57031 104056.9375 89911.78906 65139.96094 129035.4531 91144.46875 152028.1094 107199 150205.2188 108644.6172 137460.2188 73396.1875 145930.3281 132762.4063 113841.4922 164988.7344 124539.9688 68148.60938 141023.7656 88534.90625 121364.8203 119981.2969 134866.7813 109977.2266 52063.76953 144099.4219 103156.7734 140163 105853.6328 144859.9844 134245.3125 143432.1094 165085.6563 123255.8281 141592.6406 86731.54688 159225.4844 145307.4688 150995.5 121548.7031 72915.91406 99134.63281 105074.3438 56310.67188 100776.4453 108307.5156 104571.7188 65890.82031 152770.3281 104600.2969 98612.71094 142663.9219 118248.6563 65731.02344 165754.3281 115413.0859 125274.9297 93208.17188 150880.8594 101942.0156 123154.5078 62689.75781 133590.6563 117827.0469 117906.2422 113411.0781 121110.5078 86810.60938 149632.8281 72978.82813 164198.0625 118925.4141 137777.4688 105466.0313 132882.3906 88335.82031 146607.4844 150147.7188 110850.7578 166856.5625 132988.8125 162007.125 132714.5781 161212.2813 145837.3281 67303.88281 93204.95313 103269.5547 102396.0391 66645.96094 105595.6797 104883.4453 75030.61719 2,3,4,5-Tetrahydrodipicolinate 99839.42969 46902.41797 48664.85156 63568.69922 56041.73828 71152.4375 73025.91406 41332.5625 32957.33984 72761.66406 37419.48828 45959.92578 91476.35156 19615.66406 70697.03125 52647.03906 61736.83203 27734.26953 63560.25391 73267.25 71153.95313 64264.9375 57782.41016 48586.35547 62694.71094 88784.00781 72470.96875 54029.80078 79204.85156 46828.96875 85478 93237.42188 24721.93555 18349.81445 82344.5 133938.5781 77533.89063 79034.49219 44809.07031 84220.75781 52429.33984 23309.66992 71855.45313 73971.82031 119940.6094 60273.27344 43979.09766 17551.10156 55375 90277 18568.62305 102100.8125 36210.3125 40759.23438 54566.07813 88271.64844 45661.08984 15213 102624.6016 50203.51953 35016.40625 30291.22266 66742.35156 38870.1875 21140.38086 53540.84766 50376.04297 48614.1875 67584.20313 56826.51172 31740.60938 22697.66016 24647.44727 66175.65625 31297.72656 38902.57031 31470.36523 80835.86719 27090.6875 23521.76367 54358.74609 104996.9844 26048.67773 44252.05469 22281.26953 48212.96875 59789.21094 31004.99805 55767.25781 59433.98047 76757.16406 28594.36914 34834.57031 31527.82813 59710.61719 44057.47656 63402.68359 65181.60938 59180.08594 62067.17578 48706.68359 48900.22266 63124.88672 55574.09375 50500.84766 45201.83594 54076.76563 90169.82031 42673.72266 21322.86719 47131.21484 68461.52344 54786.62109 74348.00781 34449 69543.98438 74735.92188 56984.47266 42792.64453 53350.08984 49679.48438 54232.41797 58330.72656 58429.89453 49204.10156 26702.32422 72108.92188 63141.66016 51980.29297 18175.66797 35076.54688 61892.24219 67003.03125 74920.36719 47189.40234 46790.66016 51240.84375 49744.48438 38712.40625 49612.86328 48502.62891 65785.375 56183.55859 27006.22852 46681.08984 50018.73438 66836.03125 66269.20313 80771.20313 57807.21094 58945.75391 47212.875 68193.82031 31406.06055 58299.48047 105115.6172 50691.5625 61242.44922 56982.84375 42535.75 63927.95703 40896.32422 52233.59375 41824.41016 59421.98828 55230.3125 20091.95117 33400.5 40947.10547 63505.11719 63752.05078 29874.94531 32025.69922 69617.20313 37945.42969 N-Acetyl-D-glucosaminate 1458279.625 1127558.5 998508.8125 1067788.5 952061 615003.4375 535566.3125 1458729.375 1170339.125 1430692.625 1540136 1266259.875 531448.375 788852.75 519955 1283401.25 991877.625 1200021.25 979468.5 541301.4375 692076.5625 408970.625 1043678.813 1276052.125 1478576.5 1473952.625 1149346 677583.9375 483281.8438 1116820.25 1118034.25 729475.875 606780.4375 1195804.875 1474817.875 645692 441077.5938 1234435.375 947196.5625 985253.125 923687.8125 1273416.25 1203758.375 1192638.5 1190932.125 1089436.125 937677.4375 985019.5625 985934.3125 715666.6875 539953.5 1524286.875 1306499.625 1249848.5 1283902.5 683325.0625 778656.875 421590.3125 1415794.75 1130725.5 974612.75 1057945.625 654655.0625 758426.0625 467538.4063 1174438.375 1247181.375 1571362.25 1124469.625 695339.8125 489224.5313 1148978.625 1034804.438 667159.25 438226.5938 1275856.875 1784994.75 656906.5 437425.1875 900258.6875 968837.6875 1401112.875 1204254.375 1262909 915708.125 1366538 1117304.875 961016.125 1120347.375 999644.125 628905.4375 912291.25 511000.1563 1573963.5 1236522.125 1283626 1235712.875 699381.5 501870.0938 1239743.125 1067754 1001643.563 923557.0625 969433.5625 652049.125 529605.5 1383603.375 1252241.625 1337076.625 1296187.25 1285539.25 608404.375 874397.8125 459219.875 1101054.125 1228880.125 719026.1875 556524.75 1343230.875 1535205.625 563901.25 441833.6563 1260737.375 953524.125 986925 1370698 1190630 1137084.625 873757.0625 1370687.25 1098922.875 997069.125 1049289.375 689457.5625 572134.1875 1492120.125 1432888.625 1282710 1423600 1112585.75 630809.0625 963499.6875 516559.9063 1415136.25 1120842.25 874214.125 1172452.5 973016.4375 640649.9375 918766.25 487864.5 1402267.375 1224313.125 1223022.625 1601186.125 1231251.5 606643.1875 825663 498524.9688 1072496.75 1179555.875 692293.25 545218.9375 1220412.5 1381790.375 648747 522987.5938 1271012.5 882867.625 1180316.75 963068 1454837.5 1390019.125 1287828.625 871752.0625 D-myo-Inositol 1,2-cyclic phosphate 472013.5938 776594 424558.6875 508989.9688 429257.4688 451888.5938 430798.1875 1898284.25 1274462 2467229 1646330.375 1756978.375 1289147.375 950721.875 1403057.25 467706.4688 451240.9063 541145.75 484072.4688 507590.25 392881.4063 313650.2188 1572615.875 1316861.625 2299831.75 1714823.25 1698985.125 1766683 1410203.875 726986.4375 494590.6563 531754.3125 422184.5625 1240857.25 1754865.75 1613288.75 1345311.5 403791.8438 407846.25 460499.8125 549342.1875 1766049.75 1917990.125 1602837.25 429177.5625 802369.375 404851.5938 520862.9063 431180.8438 491084.6875 457429.5625 1652393 1287339.25 1982162.75 1740387.125 1586811.375 996197.625 1063349.75 386384.4063 834379 441918.5938 512134.5 469550.5938 448996 402292.4688 1300719.75 2030810.25 1764717.875 1766317.375 1662024.75 1340751.5 827214.25 488578.2813 498416.7188 348647.4063 1356924 1776315.125 1726747.5 1173894.5 1476088.375 1645750.125 1828758.25 1894074.625 1733206.75 1140527.125 475659.3125 828242.6875 429465.4063 482038.9063 473106.4375 504904.5625 472534.5 395993.9063 1796615.875 1250621.25 1935618.875 1513936 1696297.625 1505536.5 416565.8438 755260.4375 425659.0625 509226.1875 497564.125 508296.25 414866.4688 1628492.125 1307425 2006829 1701269.125 1798777.75 1747301.5 1037221.313 1061156.375 799936.6875 490836.5938 484175.0938 447102.5625 1405120.875 1621907.75 1372901.75 1371872.375 406695.8438 434930.875 459522.875 1860810.375 1637609.5 1531583 936335.8125 490665.5 783172.875 453270.625 440894.9375 544649.3125 411859.75 1845247.125 1223560.25 2137884.75 1818521.625 1471181.625 1598671 1033985.438 1408749.25 472780.9063 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1523361.25 1751609.75 1602275.375 1222362.875 915521.5 897509.375 694315.875 1001309.563 952944.25 2474306.75 1719393.25 1585597.25 1424669.75 1665004.125 2000126.625 1696688.25 1957583.5 1382125.875 995478.4375 726963.4375 738805.5625 735573.25 892031.5 900116.0625 784671.6875 2489685.25 1537415.75 1568108.875 1829226.25 1915950 2182531 1664029.5 1708533.875 1039444.938 710473.375 891527.25 869711.0625 1491160.875 1394444.75 2304810.5 1722677.25 1339945.5 700525.5625 801438.6875 1002774.75 2591019.25 1571221.75 1966841.5 1636934.5 Stealthin C 3830586.25 4301272 4529587.5 5318345 4516679.5 3818048.75 4799235 3558317.25 3119784.75 4439935.5 4547089 3807801.5 3374111 2666991.75 3609645 4387266 4179140.5 4707391.5 4293479.5 3979837.5 3167250.5 3761614 3309878.25 1704528.75 4006690.25 4325239 3560225.75 3903749.5 3326433.75 3498133.5 4528615 1771284.375 4106768 3469952 4294966.5 3762873 3247567 4525921 4269051.5 4643571 3738970.75 3849191.75 3495720.25 3607229.5 2950757.25 3991756.75 4143308.25 4527428.5 4007610.75 3875972.25 4516105.5 2589153.75 3410201.5 4041406 3704320 4143672.25 2667323.25 3239457.75 3543325.5 3673810 4167998.75 4493589 3787060 3785061 4298545 3336988.75 3540036.75 4382856 3427471.5 4243528.5 3918871 3994002 4427021 3831683.75 4206197.5 3310579.5 4915620 4005809 3647731.5 4189291.5 4058220 2318769.75 3991691.75 3746190.25 2836590 4901076.5 4399948 4593304.5 4966011.5 4855165.5 4273814 3850416.75 4422938 4513301 3179261.5 3862832.75 3779350 4391497.5 3273320.75 4310782 4337341.5 4554977 4234116.5 4640524 4271276.5 4652071.5 4129798.75 3128844 3836914 4089809.75 4061133.5 3814757.5 2201740 2988802.75 4316957 4845780.5 4440168 4517380 3361173.25 4142597 3865677.25 3167548.5 4978507 4214030 4747820.5 4007686.25 3559325 3862592 2249263.75 5712220.5 4237122.5 4886181 4472732.5 4182163.75 4938551.5 4160838.25 3437457.25 3980128 4280036 3080142.5 4068512.25 2436134.5 3623675.25 5567710.5 4208290.5 4463265.5 4681403.5 4082258 4183605 3293109 4723733.5 4140459.25 3173462.5 3824506.5 4358553.5 3528898.25 4228858 1186040.75 3408579.75 4420065 4543198.5 4449034 4859675 3318827.5 3926573.25 4102950.5 3416595.25 5226999.5 4240862 4535235.5 3620109 4210449 4053099.75 3640698.75 2220339.5 PI(38:4) 5096004 4101304.5 2568411.75 3772567.75 2801500 3293718 2377494.25 3182466.5 3577994.25 3612500.25 4580590 2739360.5 3016674 4612764.5 2335174.75 3556130.5 2118682 5465465.5 2290036.5 1988882.625 3984695 2592965.75 3227898.5 4234188 2605401.25 4527965 2477447.75 1987210.5 2245789 3793567 4311455.5 2614351.5 2043966 4516715 4690278 2240466.5 2336971 3766712.25 2643005.25 2421448.5 3857465.5 3943982 2611499.5 2436951.75 3821939.5 4655554 2745494.75 3161130.75 2051693.75 2795029.25 2419858.5 2858758.25 4444178 3180693 2782153.5 2412736.75 4983711 2385851.75 5198317 3670029.25 3366760 3307726.25 2255805.25 3673542.5 2042435.125 4753376 3000260 5110851 2999253 1902837.125 2100951 4163580.5 3239490.5 2264935.5 2598549.75 4357607 5362198 1939954.5 1721892 2489660 2240905.75 3437367.25 3507713.75 2302421.75 3082750.5 4847950.5 4296291.5 2342240.25 4247425.5 2592721 2378865.5 3642900.5 2752656.75 4571142 4630895.5 2720245.25 2401696.75 1997755.75 1618330.5 3625614.75 3737082.75 2177796.75 3516030 2267077.5 2374008.75 1871539.25 6513165 4599402 2984672.75 4692328 2307090.75 1747903.625 4200594.5 2595906 3525476.5 3943026.25 2206869.75 2125959 4640128.5 4696643 2567798.5 2264589.75 4370593 2071882.625 2454589.75 5209564.5 2625818 3388040.5 5182012.5 4223046.5 4111123.75 2718602.25 2420185.75 2497534.25 2190492.25 4510346 4298027.5 3278666 3911820.75 2902181.5 2474139.75 4247269.5 2063342 4366509.5 5161809 2978277.25 3466712.75 2435846.25 2526492.75 3398747.5 2506975 3230665.75 4445658.5 2783930 4703943 2572314.75 2341152.25 4578004.5 2450322 4763535.5 3512425.25 2687586 1951719 5086713.5 4390226 1988566 2892350 3152282.25 2612807.75 2807785 4346455.5 3345584 3490658.25 3004282 3834813.75 CDP-ethanolamine 697288.5625 989178.75 751952.1875 884227 864890.5 759896.125 736814.875 0 207442.9844 0 196025.5156 0 0 148105.2188 0 682498.125 789741.6875 875920.375 848023.5 799217.125 625914 587990.875 0 254143.8438 0 203210.9063 0 0 0 837417.0625 891567.1875 771026.3125 809692.875 203169.3125 195708.6719 0 0 608759.25 863577.3125 868717.25 702941.5 0 0 0 595085.375 1058141.875 768027 932536.5625 776148.1875 787109.9375 750522.625 0 172932.7031 0 0 0 127261.9688 0 573754.9375 896212.75 715753.5625 879358.625 748450.5625 709745.125 667940.0625 165950.1094 0 220791.6875 0 0 0 897010.75 845676.8125 692575.5625 625135.25 218653.2969 213591.9219 0 0 740142.0625 856392.8125 0 0 0 156880.1094 902163.8125 1277579.375 999039.4375 948260.4375 1088608.5 855651.0625 874380 804969.375 0 202342.2188 0 0 0 0 763446.6875 1040780.75 886265.0625 960617.125 958911.4375 897486.75 881036 0 191556.6563 0 193984.6094 0 0 145838.4219 0 1129025.25 1034540.375 891087.25 902496.0625 167947.0938 230987.0625 0 0 777798.1875 859261.25 825260 0 0 0 138386.4531 1730519.875 1793457.5 1777833.5 1615601 1571623.375 1292506.375 0 174791.625 0 204832.3594 0 0 136684.3438 0 939425.0625 1197517 954298.875 1138568.25 1013742.875 1090625.625 766106.625 1091376.25 0 184584.9375 0 231126.3594 0 0 123098.9766 0 1200940.75 1192052.125 908947.5625 937834.9375 161913.2813 192736.2656 0 0 977904.625 1040465.938 990931.875 933018.875 0 0 0 133434.3281 sn-glycero-3-Phosphoethanolamine 3121362 1596484.75 1937182.25 1061174.125 1704821.5 1195384.625 1287900.375 2117045.5 1011350.563 1746863 904535.3125 1294639.5 1143171.5 1079593.25 1067051.75 2639438.5 1808745.625 1157845.25 1783522.25 1136902.5 1298761 1089164 1632610.5 1088673.875 1524288.25 898520.625 1305097.125 1343679.25 928622.25 1561418.375 1010100.938 1326298 1455525.125 1096450.75 776432.625 1342145.875 924504.5625 2695908.5 1855370.5 1682612.375 1546749.25 1816861 1540228.75 1282641.75 2421157.5 1699582.375 1742102.875 968556.75 1799201.125 1154441.75 1237745.625 1977738.125 1098145.75 1511566.75 1317917.875 1210944.75 1015352.188 844945.125 2682341.25 1544932.5 1720039.25 1012511.438 987891.625 1348540.25 1195445.5 1027408.938 1524844.625 864003 1091197.5 1289157.875 1025649.063 1660543.375 1031034.438 1114488.5 1103071.125 1078201.125 910668.9375 1190276.875 1031130.75 1706495.75 1744835.75 2100993.25 1433714.25 1253535.5 1064308.875 2916124 1636556.75 1681132.625 1089880.5 1852930.125 1317194 1578183.75 1292409.125 2097835 1025875.875 1479637.875 1334125.875 1283816.125 967407.625 2634119.75 1497606.25 1717095.25 1121399.625 1806122.375 1186152 1379511.5 2140856.75 1055427.5 1434510.625 912903.125 1336458.875 1203223.25 1077593 968880.5 1515078.5 1219507 1250430.875 1420122.875 1068060.375 1027529.25 1217539.5 863305.125 2584556.5 1711990.75 1804694 2113166.5 1445596.625 1262615 1108574.375 2696742 1565107.875 1714148.625 1766510.5 1252823.125 1467077 2038264.875 1022738.5 1519712.25 908321.8125 1234476.75 1236278.75 1198198.875 1075681.125 2877490.5 1606597.625 1564240.375 1246198.5 1778801.25 1256536.5 1559788.375 1471583.125 2134057.75 1025241.75 1370680.625 1059272.75 1323960.625 1216025.25 1063165.125 1043828.5 1532579.875 1290888.875 1305926 1508933.125 992719.75 917113.9375 1192444 926519.5625 2676056.5 1634893.125 2087665.375 1658333.75 2051136.5 1490012 1419538.375 1041055.313 PG(36:5) 118067.1953 122228.5156 172139.2031 251393.4063 165770.9375 165494.8438 148119.4063 0 0 0 0 0 0 0 0 134559.3438 136746.8438 234921.8125 155382.4219 120443.3438 121806.8516 145446.6563 0 0 0 0 0 0 0 139281.3281 176703.8281 115852.6328 127654.7813 0 0 0 0 186993.2031 132480.2188 155145.6875 149500.625 0 0 0 50880.76172 94702.60938 128787.4688 114039.9453 189087.1719 85351.79688 71588.89063 0 0 0 0 0 0 0 76714.24219 69235.78906 106907.1953 118395.4141 89551.76563 61904.41797 80555.54688 0 0 0 0 0 0 89754.45313 104868.8516 106946.7344 108243.8047 0 0 0 0 86744.97656 123107.875 0 0 0 0 119396.9688 159130.4531 162410.8125 221949.7031 165245.8594 148561.4219 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42709.45313 37461.94922 38182.92188 29269.58203 51203.58984 0 0 0 0 0 0 47424.96094 47847.58594 31972.6875 35804.82813 0 0 0 0 45149.91406 62340.84766 0 0 10517.64551 0 39014.64063 22588.16016 44158.53906 43254.30078 49194.60938 43357.55078 38964.48438 45769.16406 0 0 0 0 0 0 29424.36328 44291.28125 39771.36719 36330.83984 64314.90625 32355.63477 48991.38672 0 0 0 0 0 0 0 0 38661.14844 46192.83984 44957.98047 40456.73047 0 0 0 0 32194.34766 39860.51172 42055.61719 0 0 0 0 48511.39844 36914.03125 45450.41797 50965.29688 42515.98438 41603.3125 0 0 0 0 0 0 0 0 47717.74219 35785.19922 46910.17578 41552.75 44937.80859 40948.875 28122.6543 41635.35156 0 0 22649.70898 0 0 21889.89258 0 0 42664.60938 52011.69531 40900.84375 41228.39844 11201.30664 0 10421.40723 0 52682.97656 51353.73828 49352.99609 39146.02734 0 0 0 0 Succinate semialdehyde 423439.5 136715.0156 308458 157916.0781 403959.4375 338158.125 470438.7188 869255.6875 152033.2813 675623.9375 276766.1563 701085.125 624051.625 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127499.7266 293183.7188 160341.1406 374980.5938 340236.2188 459263.8438 862290.0625 266631.7188 685135.4375 189774.875 610982.4375 784156.375 199792.4375 605182 148571.5625 144851.75 329701.0313 443825.2188 288197.125 270542.1875 587568.3125 541441.625 321332.5625 311064.4375 391511.9063 823619.9375 745724.25 609029.125 235763.8594 345937.5625 129585.3438 279411.1563 382962.9063 334736.75 415046.6563 733428 285003.0938 731889.75 306188.375 515696.1563 653147.5 210359.5625 612488.6875 345319.2813 125604.0078 282764.8125 125131.7344 384806.1563 310691.7188 144195.7344 356162.5938 791588.9375 146267.7969 740681.0625 223013.8281 621069.9375 645498 230544.7344 624283.625 126161.0781 148037.375 355751 321369.125 306463.7813 296965.6875 669991.8125 521146.5938 333286 250071.7188 411502.4375 108304.7109 666914.625 753253.875 649917.4375 186363.6406 UDP-glucose 13500000 13300000 10500000 13800000 9657994 9543919 11400000 8496185 10200000 8886081 12900000 7002983.5 7834815.5 7206515 8907189 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13400000 12500000 10900000 9907462 13300000 13400000 9263481 10400000 8053575 10900000 6208062.5 10200000 6882731.5 8438534 15000000 13400000 9890968 13100000 9897662 10100000 8784867 11300000 8684547 10700000 7902233.5 11700000 6429538.5 8801502 6830056.5 8277408 13500000 11700000 11100000 12000000 10800000 10600000 8856170 7483328 12900000 10600000 11300000 9868199 8933212 8228986 7268300.5 6188436 3-beta-D-Galactosyl-sn-glycerol 1122265.5 1099986.875 807163.1875 1109240.125 830803 1156868.625 1282936.5 840644.375 939316.375 896364.375 1119736.375 956738.125 1236783.125 904886.9375 1304163.125 995540.625 774395.6875 1133011.5 821745.4375 1126046.75 925063.5 1052616.25 624395.8125 1073378.625 909589.25 1081139.25 836406.125 1358503.875 1162243.5 1072878.5 1126544.75 1317258.875 1431298.5 947391.5 992903.1875 1457823.125 1089200.25 969080.1875 766839.8125 792484.25 1028161.188 744481.875 767318.875 812191.6875 947125.8125 1112296.125 716087.5625 1020823.75 891302.875 1235314.125 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732604.0625 1337079.125 892267.875 1150705.875 1135073.125 1139925.125 760455.1875 1112108.375 813602.75 1230264.125 955265.25 1255858.25 913952.4375 1063790.25 809671.1875 1212727.75 854824.1875 1367265.5 749784.5 1204271.5 1108227.375 1188589 1253459.125 1321704 1040762 1088209.125 1473969.25 1211884.375 963406.75 701443.25 916138.3125 946350.1875 984965.4375 800294.3125 861702.25 758681.6875 N,N'-Dimethylurea 155972.8906 148972.8125 178689.0625 152158.2031 134930.3125 125585.0625 160878.125 111008.3516 177237 195884.4844 157726.7969 136612.6406 135476.3906 125857.1484 166211.2188 147106.1406 133581.4063 170221.2656 129873.4844 138885.6719 126941.6875 128476.0156 145104.1094 129385.4531 175429.1406 172527.4375 143542.1875 160583.0781 151842.6406 150534.3438 141523.3438 152413.1406 179319.7188 162502.8125 146282.9688 162231.4844 151544.5 127749.1172 135682.5938 178846.3906 128583.6172 164679.5781 143187.3906 131854.0781 102387.8906 134633.7344 158346.25 137185.5938 155762.5 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126906.625 112472.0859 122455.7031 177677.0313 204766.1875 113435.6328 150571.625 140922.7813 116503.7734 391651.4688 197861.2344 87053.53125 119254.9453 136455.1406 89079.20313 131957.5156 139605.8281 75604.99219 47587.30469 85132.51563 108717.6641 93090.35156 176548.4531 274419.875 114127.7734 81734.17188 189837.9531 168982.5938 54165.01172 129536.3203 146093.0313 50636.6875 76879.98438 111853.8594 192892.5938 289831.5625 238870.5625 202618.7656 93866.14063 145438.3438 140004.5156 229538.9063 128209.3828 94124.16406 44464.10938 106039.8984 163949.7813 256136.4531 94172.19531 184525.1094 109280.8047 156749.1406 87012.34375 179157.1875 301511.1563 88202.82813 126036.2969 87763.25 111755.7813 95504.9375 87112.10938 80757.48438 113702.8047 217022.8281 146405.9063 287146.0938 160523.5938 72282.3125 89483.5625 102924.3828 98858.85156 112096.0313 106758.4688 97318.46094 126061.3438 85801.64063 70283.92188 67585.32031 51196.91016 197337.7813 208675.75 133831.5625 157556.8281 120003.5625 89666.72656 123547.5156 122101.7344 114399.4844 133984.3906 46941.38281 45043.20313 126116.3672 228177.2813 101398.7422 152310.8594 120414.0859 92779.42188 81034.02344 87477.69531 199092.7188 153646.4219 116109.75 62144.14453 O-Succinyl-L-homoserine 75594.75 40184.57813 55850.61719 52044.27734 43719.80469 40636.57813 72028.55469 0 0 0 16240.14648 21017.37305 32355.61328 10625.95508 29226.12305 53760.91016 62888.58203 56963.45313 42396.91016 45877.63672 30162.35156 60094.94531 0 11708.45117 0 33469.59375 24578.34375 42575.72656 27965.8125 46958.91016 55327.89844 68956.00781 89295.5 0 0 35191.20313 25018.02344 56486.57813 54704.85156 45866.05469 42091.91406 0 0 29111.80469 57454.22266 56550.10156 80697.21875 45738.44141 54635.92969 57395.24219 123796.6172 18052.64063 0 0 13141.04688 42157.33984 0 23873.74414 80290.89844 53128.1875 71000.3125 45768.6875 63130.77344 48844.23047 110722.0078 0 0 23135.04688 19529.01953 53569.54297 34124.64453 56517.28125 46048.88281 56370.48047 102151.5625 0 18450.82227 38308.73438 28377.57813 68374.54688 55342.76953 0 0 13165.36914 18762.0293 52915.32813 42441.46875 54797.46875 44727.94531 46537.08203 55510.83203 41689.48828 65902.35156 0 14390.2627 0 20352.66016 50100.0625 13830.90918 61106.16406 45717.26563 52388.47266 55319.81641 49799.04688 57916.05078 66749.25 0 12461.14355 0 0 21736.87305 34056.42578 10542.15527 24762.33008 42933.69531 67712.15625 60748.05859 73849.125 14508.42383 0 41728.22266 14832.05664 64950.41406 53283.66406 44067.31641 23899.32617 0 0 10842.93848 82460.00781 45459.50391 52986.10938 53651.60547 52773.34375 74758.5625 0 17883.3457 0 13252.3457 11534.63672 41114.53125 22755.23242 26079.14258 84118.09375 61182.73438 58639.79297 68260.53906 51230.70703 50545.34375 34786.21094 70197.32031 10994.35254 13865.77832 12342.31543 10482.76074 15528.88965 35019.69922 0 14773.59375 46368.46484 54472.09766 57615.76953 84601.34375 0 0 35779.90625 13588.34668 70960.94531 56526.33594 60100.07031 38164.80078 15379.08887 0 19426.19531 15039.13965 PS(34:1) 2870291 1860116.375 1516338.125 1692139.125 1625782.625 1900643.5 1945863.125 831210.25 811106.5625 872405.1875 986036.1875 623563.1875 1297665.25 1009045.5 1079234.375 1631572.125 1409431.5 2219175.5 1583695.375 1635769.5 1986428.75 1964579.375 906358.6875 846515.625 604457.125 1016682.688 583824.125 888061.1875 866102.3125 1774199.5 2018281.5 1507301.5 2136535 794751.75 1085542.625 944782.4375 1040716.375 1958562.5 1661129.375 1778738.625 1937350.5 1022664.125 635198.375 559456.25 1898948.75 1948238.875 1655988.125 1440254.625 1582880.125 1761664 1963737.125 732192.75 992077.25 714986.0625 760461.25 875347.625 978281.625 951552.625 2349192.5 1648145.875 1951689.875 1628543.625 1353155.25 2232951.75 1950755.375 1086706.75 595202.25 1089267.875 556960.5625 764238.625 912061.625 2144741.75 1628277.875 1376979.375 1960084.125 986320.4375 1183084.625 822213.625 733003 1478493.125 1814482.75 820434 628449.5625 612333.1875 669862.0625 2353093.25 1752261.875 1489051.375 1888653.25 1633074 1599701.75 2151937.5 1846625.25 1054051.375 1019417.75 559071.4375 474826.8438 932066.8125 767789.4375 1891115.5 1814844.25 1517310.875 1521481.75 1502672.375 1515089.25 1834133.25 1476397.25 826679 610547.6875 946194.0625 482414.875 877734.9375 930828.75 1158610 1678177.25 1946766.875 1410034.5 1650683 961005.1875 1191772.625 1022555.063 822799.5625 1950653.625 1451786.5 1492533.75 906315.5 709129.75 699698.75 1016753.625 2093774.625 1646882.5 1516318.75 1563214.625 1289920.375 1952193.125 930644.125 1026516.063 647420.1875 1002677.063 555535.375 1019094.125 856362 736473.5625 2346571.5 2007387.75 1610894.25 1815328.875 1984982.125 1522582.25 1899488.875 2236442.5 719419.4375 854390.0625 566652.75 1005514.563 604946.25 1011848.688 973872.875 1034644.5 1917542.875 1770012.75 1593270.25 1752191.625 958521.125 871880.9375 966388 1130688.25 1890335.875 1559796 1541941.375 2023721.75 671353.5625 691207.25 563216.8125 826118.5625 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 42422.59766 71086.53125 26414.52148 72750.75781 30729.66406 25534.2793 31766.47461 56465.95313 99862.77344 53511.08203 112225.4141 48750.59375 22773.61328 74674.80469 29505.55859 33484.42188 28301.21289 72398.34375 34520.90234 38175.26172 53391.22266 19105.16211 41716.74219 92211.52344 57982.95313 122590.4375 43642.51953 29684.85938 30533.06445 75783.25 67247.64844 40800.08984 37634.67578 90761.59375 115550.2656 28716.26172 27284.59375 34708.34375 21882.19922 43160.94141 69877.78125 50549.48828 39373.32422 43338.46875 37732.5 66050.70313 24482.76953 82431.85938 32946.24609 46532.65625 26021.25391 53731.97266 94169.6875 44459.78125 40941.54688 30443.58398 74913.41406 20654.35156 29897.80469 85579.53906 27850.40234 74966.3125 45252.15625 71810.8125 23070.16992 99260.82031 47445.76563 112818.3125 49220.42578 32539.49219 23214.60547 67527.63281 78775.75 48693.12891 20750.43359 104544.8438 138955.375 29547.38477 21845.00586 29539.76172 37108.46484 52180.08984 43806.24219 44168.73047 92424.61719 31844.0332 65904.8125 26631.61719 64728.21094 35237.61719 38783.42578 87329.1875 24184.36523 48702.36719 96750.50781 45578.90234 41241.32031 29295.19922 24983.95508 28162.20117 69499.23438 25720.48633 85783.76563 35534.46094 43908.86719 27892.02539 54802.64844 89938.82031 38854.24609 137007.6563 49655.10547 36921.13672 84564.44531 22594.33984 71043.85938 66534.24219 42111.19141 29704.89648 87882.71875 129693.625 26671.48828 26700.26953 43012.96484 23194.49414 38029.25 44841.48047 38896.46094 39927.49219 72877.10938 36405.05859 66441.01563 29810.15039 37728.96875 42293.39844 30221.78906 48782.11719 91212.67188 45739.28125 147591.0938 40445.85547 30637.1875 86781.83594 28291.56836 36237.97656 82960.94531 37326.34375 84399.57813 27623.12109 46372.29297 64721.21875 20651.8457 54347.94922 97355.84375 45304.34766 140801.0156 46415.83594 33717.5625 78853.60938 30386.1582 74723.1875 70680.82031 41335.00781 26002.34766 93989.58594 147749.2656 31073.04883 24189.11914 32849.46094 31514.02148 38283.64844 65366.05469 52746.50781 47586.90625 47742.53125 93456.4375 D-Glucono-1,5-lactone 5960005 3802951.25 4318315.5 4939176 4075387.5 3587187.5 4595617.5 5521844.5 4676856 6590129 8232909.5 5236293 5026057 2903340 4578678 5342559.5 4243501.5 5526105.5 4155763 3903460.75 2510009 3391489.75 6037210.5 5408943 6554600 8275605 4870436.5 5571143 4240333.5 3689728.75 5598753.5 4175845.75 5156934.5 4789961.5 7453370 5971090 4312357.5 5003376 4391404.5 4489097.5 3477806.75 5288493 5279586.5 4695127.5 4609400.5 3558165.75 3814653.25 3971638 4355412.5 4292867 4378194.5 6016129.5 4974283.5 5763038 4769462.5 5415866.5 3103384.25 3620219.25 5789735 3912352.25 3734682.75 3944195.75 3722710 3057292.25 4023700.5 5213250.5 5669076 7906227 4033456 6549614.5 4401050.5 4215680 4368729.5 4013761.25 3384929 5151118.5 8645072 5806735.5 4450362 3865818.25 4497639.5 5766014.5 5219331.5 4955452.5 3419995.75 5409366 4012504.25 4468074.5 5913689.5 4336809.5 4300877 3686025.25 4179892 5849060 4839404.5 5692751.5 4542377.5 5716144.5 4447595.5 4965568 3760743 3996166.5 4096133.5 4413389.5 3980597.75 4531706.5 5360338 4943404.5 6064597.5 6232271.5 4875816 5648000 3195030.25 4139140.25 3744971.5 6060992.5 3906372.25 4643510.5 5203763.5 7060296.5 5218029.5 3927803.75 5042834.5 4177579.5 4319431 5442359.5 5387538 4216975 3112850.5 5234916 3851562.75 4067840.75 4043162.5 4126303.25 4629837.5 5049769.5 5851741.5 5374861 5828556.5 4098496.25 5226978 3272297 4551274 5215725 3970608 3800829.5 4414622 4035410.25 3941026.75 3084436.75 4022219.25 5353377 4767809.5 5051049 7218005.5 4740339.5 5537949.5 2849904.75 4393314 3922886 4695500.5 4010486.25 4454739 4754748 5927169 5394551.5 4528545 5029625 3545570 4642203 3381776.25 5220096 5431225.5 4801121.5 2912434.5 [SP] Sphing-4-enine-1-phosphate 133950.5938 107749.3438 113538 106220.0547 119520.4922 116306.4609 159454.3125 267268.0313 193652.5781 276148.1563 266463.75 167043.5 279024.7813 143991.7031 221700.5625 187765.2031 105895.7266 113404.4453 145083.6719 0 106634.4609 139222.8906 296822.3125 200636.8125 181653.2656 241755.25 156895.9688 209182.7344 220935.5781 129431.2422 113778.8203 78108.73438 145255.4375 234285.0625 262125.8125 218580.8438 210454.1406 169191.8906 95659.41406 82085.69531 114125.4688 289798.9063 213696.3906 173381.9219 154038.25 171986.3281 150738.6563 120295.5078 153215.8281 126933.8281 189056.4688 267590.6875 253466.7344 239084 221503.8281 287637.4688 210867.2813 306326.8438 194187.3438 149857.7969 132685.7031 113259.6875 87141.89844 133088.8438 217115.0781 298342.2813 286596.9063 265093.25 182726.3594 267008.75 266095.4375 140390.2813 122843.0859 96022.60156 232308.9219 260095.875 291303.6875 250147.6406 259747.7969 167297.1094 145698.9375 280929.1563 285291.3438 182196.5313 135115.5625 164928.0781 135510.0938 98565.57031 132495.0938 111518.2109 88444.10938 96553.41406 162090.2344 274409.5625 214330.4063 186354.2031 155390.8594 282223.625 174325.3906 182195.75 124942.6094 90933.21875 89395.61719 97023.32813 91762.41406 85117.64063 228413.7813 192592.3125 166387.8281 294759.8125 162228.8281 184760.0156 158974.1094 215387.8281 90684.85938 102166.9922 95294.09375 133367.5781 233975.6094 242935.6875 216507.3125 199834.1563 179505.1094 101169.9844 89984.30469 274837.8438 150773.2031 162675.7344 191326.7813 171689.5156 126633.7188 113821.9141 104671.4844 82413.76563 109012.9453 246128.0938 252579.8281 158715.75 267455.125 125558.5234 200394.375 142569.5313 177696.375 145331.0938 90340.79688 100419.3281 126816.2344 82226.0625 100648.7969 89279.21094 166518.9531 227117.125 184775.8281 132052.5156 279580.8125 159407.0469 235820.375 122966.0547 158368.9219 117158.7344 118722.2734 110151.6797 137147.5313 255367.7031 276509.2813 227958.6094 130590.1484 163540.5938 88459.23438 93816.89844 73987.78125 233726.8281 176169.8281 152250.9688 103651.7266 Ala-Thr-Ala-Gly 211920.6563 219060.4688 143927.2969 201230.1875 158725.1563 174449.9219 169407.6094 170266.9531 214298.6719 174588.6406 171883.5625 144917.3906 99390.59375 122212.5078 141826.7031 200432.7344 146656.7813 208864.9219 159965.5156 190477.1406 128977.5625 155697.8281 152952.1406 200641.4531 150391.8438 165192.8281 164646.4219 186636.75 126845.25 223089.8594 219624.3906 191790.6875 192255.3594 240807.5781 189484.2031 192208.1875 161581.5 199636.6406 173548.5938 156285.5313 156908.7031 162997.2656 124416.5469 133911.7969 191415.0313 230408.5469 144164.4688 243346.4375 152307.3594 160624.375 190860.7656 136825.2969 184715.1094 141338.6094 174883.8438 154892.7969 133592.0313 129641.5703 194656.7188 216118.0469 139372.2813 215104.8906 194942.875 166943.75 179095.0625 223656.4531 160993.1563 184437.1406 111537.7656 147297.7656 159048.125 231478.6563 188821.9531 162305.7344 163450.5156 220347.8594 191584.9844 141245.3125 144557.3281 133888.1719 185884.1875 163819.2031 151505.4531 124180.7109 136775.3906 214475.5156 242953 152269.5 231154.375 161930.6406 150968.3594 145966.8125 186633.9375 157197.2188 211402.4375 140295.0625 140097.7344 148936.4063 169300.7656 176900.5781 265726.0938 156894.25 220091.9531 161345.4688 177967.9688 162048.1094 130012.5469 180109.0313 131724.1875 214349.1563 152470.9688 179470.4688 159557.0313 126119.6563 237681.9844 212449.0313 176954.7813 212938.1719 189626.2344 199811.625 137572.9531 127398.7031 198208.3281 192758.4531 147903.5938 165427.1719 146978.3438 129271.9063 178494.8594 207427.2813 237210.6875 160715.7969 148172.9063 186880.0313 181952.0938 162172.8125 169705.4844 165131.9375 225069.8125 126250.6484 160210.2188 139465.5313 136783.9219 225867.3594 247805.0938 145889.4531 280900.5625 157500.0625 198150.8594 173992.1563 189041.8125 172531 163197.2656 149101.1563 207471.1563 172604.9375 138541.125 150373.5625 142592.1094 269658 225366.4219 169295.5781 174925.4531 199653.9688 196236.8906 142849.4531 134138.8125 191984.0156 156967.2969 171671.0938 150148.5781 143574.625 122718.5859 155048.6094 102304.5078 PS(36:2) 6815538.5 4547101 4235520.5 4696179 5203088.5 4935840 4117522.25 2933670 1953613.375 2996591 2672998.25 2538694.75 2538713.75 2546431.75 1949691.75 5369929.5 3914981.25 5726562 3999936 3305309 5155001.5 4728636 2714573.75 2330357 2161336.75 2796629.25 2168979 1788653.625 1997247.625 4685073 5205227 4010239.75 4744114.5 2218810.25 2950528.25 2223759.5 2529363.75 5637275.5 4858451.5 4652430 5312419 3131684.5 2040932.75 1892774.375 5171911 5365973.5 5212710.5 3629211.75 3969539.75 4048641.75 4496073 2363704.5 2655367.25 2359122.5 2445895 2225617.75 2708181.75 2000997.625 6522902.5 4789611.5 5697693.5 4036492.5 3536726.75 5209814 3961226 2581634.5 2155949.25 2558499.5 2192502.5 1868995.875 1840857.625 4677294 4029407.75 3203268.25 5232114.5 2617281 3002325 1980449.75 1641805.875 3988950 4517411 2615964.25 2369052.5 2147434.75 1813354.875 6527853 4431353 3949681.25 5271357.5 5310791.5 3992893.5 4822915.5 4496731 3341195 2699853 1984122.375 1961228.125 2056324.125 1449337.625 5493162.5 4596691.5 4085787.5 4086133.5 4454596 3871428.75 3874837.75 4160293.5 2395171.5 2088520.625 2520049 1740685.25 1827534.25 2477757.5 2156761 4083896.5 5275437 3517523 3885930.75 2549443.5 2394693.5 2695638.5 2334336.5 6501094.5 4235110 4582766 3316885 2429401.25 2355546.75 2749822.5 6350154.5 4754714 5221167 4418697.5 4100191.25 4572664.5 3542613 2504958.25 2511538.25 2261727.5 2306423 2156614.5 2565428.75 1899131.75 6559327.5 5779691 5169308.5 4942798.5 5376043 4369974 4549970 5235267.5 2593936.5 2306476.5 2009299 2662359 2094233.75 2082385.5 2397325.75 2176884 5417054.5 4904756.5 4609791.5 4014506.75 2950237.25 2443456.75 2233647.25 2271627.75 5463496 4833817 5423787 5717725 2642989.75 2425354.75 1912625.125 1892826.5 N5-formyl-N5-hydroxy-L-ornithine 90329.42969 87480.40625 80311.53906 114979.7813 52538.83594 97016.88281 28919.30469 37171.17188 31260.79883 39133.26563 49578.59375 33414.07422 26705.49023 31676.01563 29892.64453 87946.28906 90586.21875 117109.8984 55423.57813 89810.63281 43316.53125 30038.7168 22353.69141 36434.98047 25324.19922 46102.14844 30796.35938 31361.05859 25670.54883 120979.7266 185122.6563 169325.9375 38890.92969 26312.99805 41364.62891 32713.61328 21752.2168 102387.25 125878.1719 60616.00391 76020.26563 25025.80664 26994.03125 27350.30859 79319.96094 98504.38281 70912 105188.125 59065.83594 110045.0313 46159.54297 37911.85156 34505.35938 28774.74805 31243.18945 30281.51953 28215.66797 24506.19531 94254.01563 88604.82813 74078.07813 102872.7031 88334.44531 69431.19531 39439.35156 33265.9375 29340.89453 37673.42188 29225.61328 31896.14648 27183.41602 104158.5703 111827.8516 97041.02344 37095.32031 29202.5918 50571.89453 29504.75586 22098.94141 73162.83594 54919.85547 30815.42383 29783.60156 29969.20703 38843.31641 46866.89063 39601.26172 38540.98828 46319.84766 31994.91406 34435.27734 40942.31641 20211.67773 31375.81641 35273.14453 29202.14063 31716.57617 31250.43555 22902.75781 95133.80469 87193.21094 107771.8438 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131632.7969 171561.7813 52350.31641 143451.9688 31251.61328 41708.73828 81094.4375 99301.72656 58431.98047 80056.75781 158256.375 125063.6875 106058.1172 80152.52344 91889.21875 171866.8594 140604.1563 123065.3828 49747.58203 99461.91406 25907.57227 82355.19531 81362.33594 81853.98438 107437.3906 169761.9688 66665.60156 140692.5781 67723.64844 118963.9531 172134.7656 53729.82422 140268.4219 112072.1484 27798.37305 68363.11719 33864.57031 73930.51563 79084.54688 33899.25391 105133.6719 176268.5938 62893.51953 120051.3125 87110.97656 125850.3438 179510.3594 45099.58594 131623.7031 30541.33984 38241.55859 79665.20313 106777.3984 49782.59375 61615.875 171928.2188 130181.9844 93770.58594 65602.71875 102222.0859 41449.125 186571.8281 142601.6094 134237.5313 46344.41406 PIPES 3233824.75 3351791.25 3194689.5 3518382.75 3045090.75 3445184.75 3356025 3241389.75 3524465.25 3574105 3696777.75 3381721.5 3120517 2590079.25 3218542.75 3443726 3399091.25 3801616.75 3457879 2908263.75 2252268.5 2453830.25 3333675.5 3500802.75 3245111.75 3601486.75 3232553.25 4027467.5 3454579.5 3445922.75 3844458.25 4109592.25 3384327.5 3525390.25 3582609.75 4068373.75 2760957 3190701.25 3794316.5 3513911.75 2834284.25 3600336.25 3250671.75 3397558.25 3243629.75 3599215 3486628 4144477 3373880.25 3857792.25 3383765.5 3344783.25 3705589.5 3306100.75 3087052.75 4049609.25 2625506 2953693 3250105.75 3364218.75 3168774 4092589 4116454 2578954.5 3244048 3518580.75 3456017.25 3838289.25 2975405.5 4305778 3352100.75 3808098.75 4129522.5 4310206 2747498.5 3540589.25 3767047 4237085 3458417.75 3646979.75 3488625.5 3193124 3453951.5 3314186.25 3154163.25 3369374 3471316.5 3370737 3717398.25 3030162.25 3969421 3055327.75 2822889.25 3528969.5 3672237.25 3233486.5 3274326.75 4001201.75 3090867 3174708.5 3485271.75 3131384.25 3852263.75 3419461 4262516 3745207.5 3321971.5 3863073.25 3225468 4186183.25 3287736.75 4399203 2735180.75 2792527 3282078.75 3792720.5 4083031.75 3540025 3505270.5 4050418 3663382 2757142 3261444.75 3400571.25 3553458.5 3611312.5 3301004.25 3216129.75 2665164 3813026 3299079.25 3292777.75 3341534.25 4199786 3452475.25 3351611.75 3514783.75 3356059.75 4030140 2561317 3861957 2562069 3377116.75 3533178.75 3439645.25 3096124 4028033.25 3208680.5 3886192 2668995 2881936 3534018.75 3782812.75 3686894.75 3905402.75 3331045.25 4122378 2507664.25 3000050 3401022.75 3984136.25 4036298.75 3386651.5 3548608.5 3967686 3997727 2943113.25 3198234.75 3384012.25 3114696.5 2788196.5 3339162.25 3276226 3016608.25 2323947.25 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 151410.625 103333.1016 88206.36719 121133.0859 106334.0938 109593.3516 145699.4219 124802.5703 106232.1094 131334.8906 126113.7734 125284.7188 133912.5469 99018.50781 137822.875 156439.0469 88783.36719 93189.53906 106285.0938 131556.7031 90469.41406 108039.9688 99599.98438 123250.0078 122844.8203 130962.0313 118349.1719 149302.1875 144283.1719 128188.4922 89851.25 114355.5938 135867.75 117392.6484 118496.0313 149434.125 114304.8359 108090.2578 105056.1406 107337.5078 110201.25 87708.58594 116553.4688 112405.1328 97299.5625 92277.85938 90627.83594 104154.3047 104938.6016 101157.4063 108616.2578 105781.7656 98100.90625 104981.375 119276.7891 138422.2969 85668.64063 107644.2109 100811.8516 93876.85938 84186.55469 103996.9844 102368.2734 102795.2813 124416.5547 95532.70313 95188.70313 124191.5625 98625.39063 138622.8906 128494.1016 97472.07031 106601.3672 111056.5859 103644.2344 100369.7734 132882.7344 132519.0156 140503.6875 105068.5391 102820.9453 113059.8125 105841.0469 118873.7031 103667.2188 160024.4219 114740.0781 89125.63281 96487.71875 118446.875 126516.9375 100435.7031 120145.1484 119905.7891 103007.9297 106854.7969 131186.9375 154348.9844 130559.0781 132116.8594 103310 92745.41406 109141.2891 113545.4766 99250.51563 132875.0156 150963.8125 106433.3672 98227.67969 124167.3984 121500.2266 153181.6875 107421.0469 102210.5859 96615.3125 94133.04688 125004.7344 133447.125 118656.9141 154629.8438 132831.2813 109762.8828 110433.1563 94820.52344 106633.1719 120950.1406 121494.2344 127766.9844 110960.7813 145467.1094 105783.4531 90296.51563 105579.7031 124800.5391 115593.6719 115313.9609 112412.3672 127626.2344 139935.5156 95675.03125 144408.25 106832.1172 120636.6953 149088.7813 106539.7656 93498.92969 117153.4922 95158.42188 124989.0234 103547.5859 119414.8594 130531.3203 122043.4141 96381.84375 152722.3281 108548.4609 140985.9219 85543.90625 127287.2813 96072.61719 104455.8047 118921.5313 111921.2734 113349.5078 120033.5781 150078.0469 113231.1328 117157.9453 89423.54688 100568.8047 101709.5234 120019.2109 129835.6797 129739.125 73290.625 Cholesterolsulfate 2735279.75 3195590.5 2402155 3161986 2104033.25 2421054.75 1887038.75 2684699 2856052.25 2975427.25 4236467 2456435 2396948 3558948.25 1645514.125 2733573.75 1937335.375 3016820.5 1827557.125 1698500.875 3635595.75 1969153.875 2606757.75 3901504 2338580 3974958.5 2311415.5 2343227.5 1873693.125 3180845.5 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44132.22266 69822.27344 70325.95313 69339.01563 79904 47153.89453 51014.30078 49261.31641 47112.76172 72010.57813 48900.95703 47635.58984 53957.18359 39708.12109 47162.55078 39323.51172 41903.08984 73836.40625 54567.33594 52969.30469 56370.24609 48923.43359 57388.78125 42021.23047 40528.36328 40409.23828 53832.74219 38689.72656 40116.76953 60289.875 52246.18359 56538.68359 40852.60938 60775.81641 39147.82031 51486.79688 46493.80078 67074.92969 37121.77734 53310.10156 43426.03906 nonulose 9-phosphate 806192.3125 532363.375 499888.1875 468376.2188 511944.9375 442288.1563 513619.8438 647224.375 428121.3125 688157.75 511635.75 649701.6875 573698.6875 359241.1563 534764.375 761466.4375 525041.0625 456657.9688 576232.3125 515285.5625 350826.1563 385657.1563 428418.25 452624.9375 604116.625 540195.625 619905.6875 738598.125 497484.5 530061.25 445823.4063 519259.2188 621675.9375 447794.875 516449.9063 732655.1875 461059.2813 751192.3125 525503.625 543369 494885.0938 589428.625 566877.5 620383.6875 616790.4375 537373.75 569972.875 445776.75 577639.4375 461802.5313 499478.5938 605463.375 464929.9063 563693.8125 645769.3125 677637.0625 378383.5313 439757.6875 661107.625 511149.4375 540674.125 430976.5313 477957.4688 438959.0625 521614.2188 458207.4688 532701 494530.4375 632810.5625 708721.9375 492120.2188 560646.8125 452949.1875 545305.875 463578.1875 440446.9375 605547.5 662778.8125 487738.8438 502801.1563 551464.3125 672279.5625 535850.1875 662059.8125 404252.7813 743910.0625 590256.5 525085.8125 445833.7188 576173.5 503441.6563 505747.1875 487999.2188 706083.6875 461950.4688 578010.125 675813.9375 752259.75 517166.1875 711009.8125 484862.4688 573635.875 435064.3125 567533.25 569693.75 563421.0625 718499.5625 500311.7188 529794.375 518680.5938 696680.1875 685487.1875 408162.9688 427037 511924.1563 479523.75 507665.0625 542245 457751.8125 591356.8125 617999.6875 484797.25 729798.4375 536184.9375 594918.8125 678235.4375 537639.6875 690368.25 324078.8125 791440 566296 621629.375 666027.0625 556470.0625 543276.9375 694266.6875 479182.5 599158.875 608957 602795.0625 702337.875 401967.5625 552406.6875 768793.6875 528531.4375 527522.875 541496.3125 470797.375 522462.125 412261 487648.0938 713533.1875 537413.9375 568190.6875 637378.25 704539.3125 702586.875 352650.3125 540329.125 564878.9375 483631.9688 479724.125 515271.5 465270.1563 586184.0625 680693.5625 524891.5 720215.375 520622.0625 562621.75 468915.7188 698102.875 620142.25 702361 323899.5938 D-Ribose 5-phosphate 1650873.625 848329.9375 1044403.5 873637.125 770973 716686.0625 824772.5625 4956285 3306714.25 4733074 5037935 3094299.25 3214927 3167575.25 2996771.5 1579287.25 1002282.438 843733.625 835917.1875 866573.6875 583677.9375 661919.75 3609863.25 3616921 4338058.5 5007383 2973885.5 3735168.5 3056199.5 826413.375 891431.4375 936567.3125 929090.125 3487875.5 4877819 4033897.75 2831708.25 1463904.25 1074218.75 804869.6875 835105.0625 4413061 3504120.75 3057076.25 1001755.375 804143.1875 1006784.625 780301.5 806715.75 878560.25 774167.75 5005006 3165741.25 5081281 3255337.5 3191111 4935127 4344672.5 1217413.75 756980.8125 1091149.25 773170.625 938031.0625 760474.1875 724568.875 3087614 4708485 5275754.5 2917277.25 3611186.75 5411032 844030.1875 767048.75 907194.3125 655624.125 3075399 6031902 3112323 4821181.5 1083385.5 731050.4375 5196368.5 5001903 3110967.25 5138877.5 1234995.5 788626.4375 1044499 830322.375 775513.1875 911445.4375 890257 775460.5625 5677152 3589898 3956174 2934955.25 4647184 3213654.5 1185125.25 808658.125 1039386 806376.0625 847096.5 932612.9375 955068.8125 5573571 3739908.25 4375544 5012505.5 3343098.25 4087247 3625970.5 2824301.5 798594.6875 890309.625 944362.625 904391 3825223.25 5177754.5 3741976.25 3008405.25 1201869.625 1023569.313 853117 5466462.5 3896346.25 3031136.75 3296348.75 1276946.125 740974.5 1049013.5 906881.75 790855.3125 776116.375 5189376 3892045.25 4331222 4947758 2732632.5 4440281 3576515.5 3376739.25 1408731.75 791333.3125 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913559.4375 960246.5625 2751919.25 3560610.75 3159437.5 0 841063.6875 0 831139.4375 1091349.625 0 0 2671896 0 2993166.75 0 2300279.5 0 0 0 808766 0 765076.6875 0 995206.625 0 70309.64844 0 2823139.5 0 2853642.25 0 2909235 0 0 0 0 0 0 0 0 0 0 0 810691.4375 638180.25 1049150.625 67617.79688 3362538.75 3606672.25 3012410.75 0 N,N-Dimethylglycine 4932413.5 3354037.25 3606793 2594476.25 2567486.25 3262127.75 3249665.5 3600625.25 2899290 2865811.5 3102691 3808615 4588133.5 3627123.5 3807787.5 4812356.5 3303544.5 2454945.25 2670548.5 2805282.75 3401777 2894313.25 1143775 3099311.75 2871557.5 3228037.5 3395266.75 4679671 4149972.5 3521424.5 2677111 3679337.25 3716077.75 3133433.5 2846160.25 4922118 3655682.25 4573452 3503177.75 2745071.5 4096253 2368458.5 2456880.75 3717147.25 4578614 3610888.25 3485501.75 2315007 2812864 3824160.75 3644691.75 4412732.5 2864241.75 2557002.75 3537709.5 5188175.5 3410782 3101040.5 5255565 3328882 3582672 2520870 3519393.25 3810188.75 3459771 3066505.75 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3716023.25 4425083.5 3035937.75 4784951.5 3872041 cis-Aconitate 133149.1719 91969.5 105369 285329.375 93896.11719 56376.58594 110764.5703 565322.25 225295.6719 801141.5 1241702.75 210539.3594 46101.99609 133388.9063 67351.08594 100994.0859 104717.9844 307601.4375 115175.4844 63112.48438 74555.78906 65819.0625 1272567.5 273469.375 563664.25 1303137.5 182260.7188 82390.28906 47915.52344 109179.1953 263925.9375 80753.76563 124660.1797 242920.0938 1072776.625 57363.08984 32773.81641 86776.95313 133138.4844 123767.6406 96595.39063 930883.125 594006.0625 223346.1719 102484.8281 113705.5859 110122.5 147690.0781 132988.5781 82300.05469 92572.09375 504787.6563 305692.6875 603390.0625 240153.7969 40528.64453 141717.6406 44312.55859 118661.625 116314.5547 144155.8438 228931.4375 94820.4375 80813.82031 120632.0234 250847.0938 531070.9375 1169152.125 207073.0469 31669.03125 63158.89844 168093.5938 186421.9375 98795.71094 122565.1719 239086.7969 1218847.625 44155.58594 40164.65625 123770.8047 127128.1406 619109 730438.3125 230731.4219 134846.2188 103526.2578 100472.7891 122635.1797 276716.375 126333 70860.78906 69043 68838.4375 475036.8125 224755.625 616547.4375 213207.8438 56539.83203 36680.76953 104827.6875 83968.16406 103863.6328 187971.5 113871.125 96960.53906 93629.86719 532431.5625 227237 542951.5625 713014.25 264266.1875 68328.98438 150902.8438 41713.65625 112978.8203 279887.0625 76727.32813 107061.1641 310156.5 698557.1875 56530.88672 29890.88477 100454.4375 140083.5156 133996.1406 609423.8125 597718.9375 224857.9219 121015.9219 132784.0469 93639.98438 134766.3438 95584.02344 71570.36719 68971.25781 369005.5938 162021.3594 258090.7031 275033.0625 186230.1719 30338.72852 120312.5938 41125.5 130868.8984 90343.60156 92979.625 159729.8438 94188.95313 48909.19531 64746.85547 88374.64063 417504.8125 246744.6406 533981.0625 780326.0625 226650.9063 44126.12109 132535.7813 49176.85547 78755.40625 129514.7969 60857.46875 79847.625 223340.4375 534230 40859.5 48030.74609 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553962.25 668267.8125 701535.9375 540652 608043.4375 500806.8125 829840.3125 494121 448989.5 584332.25 576749.5625 706475.5625 642208.1875 567937.875 683290.3125 603441 482817.9063 361979.7813 524803.25 402707.8438 875639.4375 480266.8438 482984.0625 466057.4375 469197.9063 489062.4063 473480.8438 808310.625 522439.125 480256.0625 462209.5938 397156.7188 542033.4375 729932.6875 696012.625 562427.8125 538145.875 555808.5625 477348.7813 543555.1875 536017.6875 761197.1875 573019.1875 736078.0625 432399.9375 441966.1875 771364.4375 497840 514488.375 718763.75 681974.1875 573783.5 456059.25 483623.9063 458544.375 507702.8125 724455.25 571520.8125 508210.9688 357198.0938 451895.8125 556692.375 614903.3125 523160.4375 692268 587200.3125 596597.0625 501446.1875 550043.3125 516863.375 613033.3125 670335.125 586560.6875 557243.6875 471550.625 542082.0625 491049.4375 535358.375 701530.0625 629350.3125 554707.9375 446129.625 567804.0625 415691.3438 676697.125 369619.25 592578.0625 462687.1875 563328 499445.8125 624532.8125 740092 561594.125 565501.5 455227.5625 519618.9375 Bis-D-fructose 2',1:2,1'-dianhydride 259819.9063 346372.5 171612.6406 187910.7656 129178.4688 139592.8438 162547.2969 114029.3203 135647.9219 72613.95313 86379.85938 69768.79688 73364.60938 152261.4688 99394.13281 226834.5156 216115.0469 235062.7969 128145.1797 114937.9375 234277.9063 171482.1719 52859.91016 165896.25 76717.64844 75212.85938 62551.37891 78417.9375 101741.875 342942.9688 228209.3906 171653.375 186045.6875 186634.2344 89978.07813 99556.51563 109342.2188 221073.2969 204565.3281 143321.0938 252434.25 95740.07813 78194.46094 70138 260614.5156 443436.1875 189819.9844 181645.6094 108686.25 148884.2031 208435.2031 151519.9531 196557.9688 92964.53125 96995.33594 58090.16406 155429.5938 104150.4141 283647.1875 395199.8125 223694.0938 188204.8125 171065.5625 277048.0938 229858.2031 161981.7813 63007.20703 86876.22656 57347.5625 70173.46875 97339.85938 391116.9375 198166.7969 145771.7813 239956.5 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212651.7344 176071.6563 195999.1094 122158.8281 110148.5859 106794.1484 135243.4844 252831.3281 176373.625 113810.1016 224958.8906 118453.5156 67714.57031 62316.21484 219282.3906 2-Carboxy-D-arabinitol 1-phosphate 1631295.375 1342583.5 1125051 1578085.75 1248132.125 727602.25 864474.25 1229344.125 1010645.375 1373558.5 1597043.875 1127050.25 578975.6875 699522.125 520080.1563 1531939.875 1216478.5 1590364.5 1245436.125 954210.75 897041.0625 661820 843750.25 1046035 1279338.875 1504409.25 1067163.25 785984.5625 541288.625 1432614 1434729.375 1056683 958260.125 1065718.25 1536785.625 672205.25 492973.125 1544604.125 1146881 1346297.25 1152202.75 1132532.625 1027972.25 1016726.875 1208450.125 1319852 1107050.625 1315978.625 1370965.625 999926.5625 886365.8125 1065232.75 963632.25 1147251.75 1055680.125 732464.9375 736161 414910.9063 1530226.75 1368226.625 1235941.375 1283085.125 1095440.25 1032227.75 801048.625 994799.125 996607.1875 1405311.625 1051064.625 803797 537913.0625 1480107.625 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902272.8125 712606.5625 721865.3125 681043.1875 470040.8125 PE(34:1) 4081305 2363536.25 3052657.5 2227169.25 2652869 1973031.625 2367715.5 2880932.25 1656101.25 2813846.5 1712001.5 2378716.75 1664454.375 1674962.75 2102176.5 3467170.5 2638064.5 2431591.5 2907559.75 1816445 2287647 2302390.25 3442199 1901586.125 2686048.75 1905553.5 2102167.75 1985377.375 2021700 2475534 2325856.5 2029442.75 2563265.75 1951068 1883339.5 1835127.875 1860325.5 3613364.25 2742555.25 2866324.5 2161795.75 3515178 2321297.75 2040655.375 4510456 2355802.75 3122975.75 2352471.75 2774607 2460145.5 2438870.5 3280160.5 1814968 2378323.75 2409863.5 1753499.875 1689490.25 1917006.875 4466166 2540197.5 3394207.5 2160697.25 2257364 2194232.5 2323365.25 2000794.125 2281316.75 1760526.25 2104869.5 1810299.125 1913963.625 2418149.75 1997537 2243735.25 2477213 1826723.125 1931043 1837077.5 1830371.25 2827094 2737953.75 3513686.75 2410030.75 2352754.5 1680450.875 3731189.25 2238408 3028557.75 2497429.75 2732478.25 2381051.5 2188731 2218775 3443424 1916960.625 2527101.75 2175294.25 1928550.875 1690225.75 3537730 2359842.5 2935061.5 1983627.75 2746122 2291107.25 2304292.5 3433883 1734843.375 2381353.75 1546147.25 2051381.5 1738922.625 1575935.625 1846101.625 2517725 2470367.75 2183809.75 2369535 2031922.875 1676835.625 2120133.25 2069450.75 3300670 2890188 2379925.25 3454444.75 2252489.5 2115155.25 1415833.375 4081408.5 2483783.25 3258051.75 2875531 2046436.125 2576254.5 3696466.5 1825319.125 2283092.25 1523867.25 2061096.625 2122204.75 1461214.25 1936767.375 3801028.5 2496779.5 2839900.5 2305840.5 2829324.75 2450348 1863649 2392788.75 2668565.75 1619513.875 2236661 1560409.625 2215538 2074032 1513080.75 1950619.625 2514802.75 2166179.25 2172487.25 2564124 1979536.125 1564854.375 1970044.625 2000685.375 3406923.5 3041758.75 2697963.5 2398553 2677220 2648508 2330791.75 1633108 melibionate 394369.5 339946.0938 333967.9688 305187.9375 320184.6563 266636 286010.75 219098.5781 201260.2031 278426.1875 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240847.9844 224267.8906 183894.875 385077.0313 305732 365084.0625 370177.375 398553.8438 261241.5156 261364.2813 258216.4219 237073.1719 285727.3438 221408.2813 266958.3438 224713.9688 205434.2031 171118.2813 380259.7813 363555.7813 300221.4063 313649.75 246851.5156 279523.0313 223625.1406 149115.75 361451.1563 382416.9375 340259.1875 244802.2656 228640.5781 228817.5 211036.8594 435741.8438 320089.3438 374828.5 390361.6563 297420.9375 299121.6875 297118.2188 228375.4844 250586.4375 237746.8438 226985.4688 206767.4688 164544.6563 206782.6406 456875.1563 351499.4688 319438.6563 332475.9688 334310.6875 273391.4063 245839.6875 264845.4375 284296.8438 242273.8438 244135.1719 269802.5625 236241.8125 281177.5 161886.9219 192180.0781 332665.2188 335378.0938 278291.5 255498.625 209708.8125 226955.3594 244373.2031 251058.3125 399885.0313 338810.875 364396.625 275288.8125 263538.9688 264940.1875 257581.8594 188252.8125 D-Arabinonate 2409759.25 951941.8125 1721281.5 1553048.625 2129926.25 537436.875 605472.1875 5233589.5 2075046.125 5751621 3391938 4366069.5 1020053.063 1364903.875 1013825.938 2172697.5 1672004.125 1544935.25 2160212.25 609553 821722.25 476703.25 5791471.5 2131680.5 5686211.5 3356760.75 4228853 1147391.625 961207.75 1021110.563 1799876.625 674051.5625 675045.3125 2252433.5 3211235 1191024.625 861770.125 2108840.25 1540957.5 2270815.75 1283168.375 5193987 4575542.5 4114213.75 2180869.5 1131636.25 1497673.375 1247814.5 2333320 644468.9375 640589.875 5537267 2253495.75 4995093 4194690.5 2228891.5 1359135.25 1342303.125 2592193.75 878974.6875 1621336 1198916.375 632318.8125 1022262.125 609746.4375 1028542.125 2169144 1526651.625 2025437.75 1971749.625 1574920.625 973398.5 1219710 602070.875 476302.75 2314634 3499482.5 1255650.125 850441.125 1594537.125 2362059 5207225.5 4865452 4244277.5 1672803.875 2311605.5 927758.6875 1663413.375 1818824.5 2423389.25 624977.3125 1053006.5 1344640.5 2568594 1295238 2208166 1989266.75 2126330.75 1614541.75 2061746.875 945909.125 1762290.375 1208314.625 2290733 624972.125 650279.8125 5917525 2176247.75 4566408 3129802.75 4822310 1186291.75 1552016.75 830587.5625 940194.6875 1561628 635704.5 586721 2226306.75 3443723.5 1006907.5 858211.375 2070808.375 1634769.625 2072571.375 5474138 4690082 4019367.75 1655198.25 2395873 1554477.125 1656018.375 2178023.75 1452169.125 1785093.125 5462383 2172359 4744002.5 3011055 3564952 1010923.375 1333464.625 947492.1875 2336847.75 949701.5 1455070.875 1556946.625 2049216 588070.8125 867004.9375 539766.4375 5012259 2126408.75 5016983.5 3058983.75 4316134.5 1033590.688 1158458.125 990106 878832.0625 1348023.625 626685.125 621964.75 1993635.75 2873885 1028422.063 920126.3125 2217483 1438726.125 2586479.5 924446.375 5209137 4932910.5 4202623.5 1204625.625 [FA] Methyl jasmonate 171531.7344 351507.1875 354168.0938 245964.4375 334292.7188 362916.0313 288276.125 143527.5781 402644.25 402323.3125 318625.1875 374181.375 385395.8125 314480.1563 290098.125 136135 340789.9688 251382.5938 374929.25 293182.1875 372969.625 244259.4219 167262.1406 411930.3125 462797.5 292221.875 365219.6875 295879.3125 316898.625 358699.9688 255787.2031 294251.9063 297328.5313 427186.6875 255549.2656 309417.3125 281032.8125 156697.6406 357566.125 390894.1875 280854 149674.0625 381497.4375 366169.5625 139373.4688 381683.5938 297592.4063 237563.6094 321072.4375 344073.3125 216817.9531 158366.9375 407151.0625 409744.375 331537.4688 330571.9063 350090.125 218054.0625 185179.2813 420550.9063 359120.9063 219142.8281 317240.375 335529.4063 217942.3594 361269.3125 417738.0625 281228.625 381290.125 339933.5938 299880.875 433142.0938 256620.1563 316952.625 233394.9688 329729.7188 271163.9688 302404.25 238393.9063 312522.1875 318498.6875 152926.7969 426225.8125 342664.3125 276302.1563 163583.9063 345273.1875 342785.0625 316145.9688 360515.625 316252.1563 289011.4375 296973.1563 158039.7188 388480.9375 420226.7188 391087.2813 278529.1875 310034.625 172999.3438 365538.125 380977.5313 244564.8125 364977.5938 330027.125 308442.0938 153934.9531 377719.5313 346161.9375 322675.6875 349159.625 274675.875 219944.625 291881.875 386617.4688 322971.4063 357191.4063 253925.0781 390607.1875 337401.0313 382416.2813 298652.9375 126256.0859 359254.5625 351588.2813 151056 362737.7813 406075.5938 263951.9375 151681.0938 374669.3438 449442.2188 298768.3125 328756.0938 333767.1875 165446.2656 369757.125 418080.75 361957.0313 354808.5 363711.4063 252336.6719 389410.2813 177519.25 383345.7813 446541.9688 307849.25 360397.0625 361660.125 244169.1719 356152.1563 145332.6719 363144.5 436343.6563 368829.5938 325251.2188 298020 204519.5938 364474.8125 446466.0625 345865.4063 376101.5313 342105.7188 431460.0625 363658.75 330672.9375 304344.5938 206265.1406 449213 390320.3125 273566.625 179797.1719 445558.8125 307466.875 211746.9375 Pyruvate 63605.59375 72291.44531 120214.3828 69419.73438 54520.29688 122342.375 151338.1094 80324.875 84829.67188 93689.66406 167752.2031 56965.67188 215768.4844 62564.59375 240233.0938 66012.54688 71381.35156 76405.15625 61748.14453 134211.1406 61457.3125 153076.0781 70735.26563 144036.0156 127283.3438 154198.7656 67474.51563 265158.125 272520.5 91977.25 78500.8125 136187.0313 182637.4375 118225.9141 159517.5781 218132.875 247074.4063 48035.33594 72029.27344 63791.04297 71504.32813 60510.23828 106524.1563 63752.85156 71410.58594 80056.67969 77488.5 81440.53906 54199.24219 147381.8125 142102.4219 138806.8438 79610.30469 112790.9766 68438.66406 258794.2344 59828.9375 144783.1406 96963.64844 89698.35938 93237.5625 75788.79688 157818.3438 56083.10938 152399.9063 139451.7969 169129.5156 147365.625 73858.60938 368930.5625 160578.125 76720.01563 80032.64063 147428.2969 142239.3594 142221.9688 175661.6719 269897.1875 182624.4531 84735.25 50485.07031 138683.0938 132687.7188 80862.21094 89175.10156 54848.04297 63549.26172 63043.34375 71179.15625 65635.14063 125899.3438 63289.55859 142425.6563 67345.74219 104207.0703 100859.3672 72307.82031 195835.5 200809.1094 62598.01563 98579.96094 76344.95313 69668.86719 61374.25391 138049.375 173470.9844 98010.45313 168316.4531 129130.6563 140980.75 163829.2031 272038.2188 91396 237395.0781 79104.86719 73749.25781 155199.0938 156303.7656 135959.2344 138516.0938 227608.9531 182955.1719 70246.45313 68673.83594 63482.97656 85023.22656 102943.1797 99423.96094 96262.67969 73315.60938 72173.75 71272.67969 60247.10156 95195.0625 161172.375 90365.21875 122109.9766 123539.5156 97637.71094 103733.8984 252379.2188 89322.25 249539.1875 83446.10938 74943.73438 71024.89844 67560.6875 68594.59375 128950.1641 59909.71875 156805.5625 168384.7969 131078.9844 191172.4375 127401.6719 138515.9063 329353.875 143692.9531 238220.5781 81863.61719 76107.91406 149135.8281 169481.5313 200022.7656 91290.875 303235.875 201688.9063 75456.25781 68837.07813 75100.01563 57478.57031 125043.5938 126372.9375 141504.125 104974.0078 PS(38:5) 5206435.5 4822948.5 3664881 4190952.5 3632270.75 4933269 3964254.75 3961129.5 3364092.5 4125581 4514659 3303911.5 5038306.5 3999210.5 3890067 4819318 3337516.25 4784243 3128844 3682131.75 4557492 4736968 3473406.25 4069073 3296380.5 4466414.5 3029710.75 3242987.25 3927511.5 4512970.5 4624717 3891873.5 3869531.75 3962916 4123584.75 4237490 4324388.5 5016636.5 3911230 3282334.75 4112482 4141711.75 3239758.5 2816613.5 3790395.25 5036734.5 3983803 3478775.5 3297330.75 4341354.5 3955074.75 3249778.5 4454353 3546023 3073480.5 4336807 3917408.25 3610879.25 5042662.5 4166895.75 4505181.5 3827330.75 3031822.5 4227124.5 3994193 4496087 3526198.75 4270834.5 3596793.25 3352805.5 3252949.75 4587174 3892643.25 3670030.75 5134495.5 4058335.5 5071850 3585248.25 2855668 3627579 3724798 3273584 3590615.25 3047820.25 3182015.5 5169383.5 4251527 3797695 4816349 3750421 3633836.5 3968231.75 4546987.5 3943290.75 4057085 3483859.5 2832040 3562026.5 2738888.75 4780669.5 4323103 3270154 3655495.75 3583262.25 3747744.25 3322470.25 5119946.5 4120149.25 3392324.75 4292636 2881037.5 3594151.25 4025963.75 4670962.5 3925114 4428172 3725613.5 3704275.75 4164983.5 3741726.5 4738920.5 4054864.75 5259436 3199870.5 3402454 3945713.5 3083927.5 3787753 5108262.5 4383979 4584775 3789326.5 3271560.25 4110251.5 3983169.75 3939665.75 4130962.75 3914893.25 3082061.5 3101000.75 3990368.25 3896476 3744508.25 4806854 5771454 3918600.75 3850400.75 3965962.5 3738727.25 4204401 5371718 3648422.75 4086707.25 3411820 4209554.5 3093851.75 4141672.5 4179060.25 4156165 5251482 4338787 3932598.25 3333825.75 4802873.5 3872599.25 4378915 4202751.5 4744499.5 3693923.5 4077619.75 4808239.5 4129117.5 3662517.25 3104182.5 3270547 Ala-Asp 190970.6563 245594.1406 207748.3125 174709.3906 156976.3594 105456.3984 69874.32813 169210.1719 162904.625 133368.2344 137015.5469 148025.8906 64746.71875 137936.4219 46144.61719 214046.3906 196276.9063 200908.0625 165333.3906 109050.4219 153907.0156 61081.64844 66118.28906 154756.75 116283.4297 131239.7031 115947.3906 71224.35156 52699.94531 293569.8125 265770.3438 193856.5469 110697.9688 161116.6719 121500.1797 93727.66406 50080.5 199603.5156 192591.4219 141298.7188 219260.2969 96250.32813 140224.5 120758.2344 188451.6719 240549.1563 218172.2188 220285.0156 163264.2813 131897.5938 77148.88281 149484.625 148248.4375 162151.0156 127552.9141 73299.59375 143823.7656 41199.36719 188288.75 276357.2813 209022.2969 199594.7188 115379.4375 186882.5938 88167.57813 143569.9063 117505.3516 136229.4063 109347.6406 61238.01563 47604.15625 237456.6563 211932.8125 133479.3125 106187.125 166180.9531 135456.3906 77339.54688 36123.15625 174507.6563 218694.125 127117.7969 119483.3359 171360.4375 158553 222296.9844 220366.9688 175797.2188 152724.7188 166465.4219 92739.03125 183850.5781 109609.4922 139879.8281 126825.3125 128725.9063 163454.125 56667.45703 45090.53125 210915 259839.7813 190954.4219 214496.2031 185113.2344 121311.7891 118880.2734 119408.8438 133972.3438 131471.0469 98766.54688 153355.0625 51486.50391 131875.6406 40097.34766 280423.5625 189171.5 146771.7656 115630.6016 126390.5625 150848.3125 51970.90234 37511.22266 261079.5625 164377.1406 164008.2188 150713.3906 123360.6328 154535.6875 120085.375 200336.6094 209574.0938 167079.1406 171208.6719 94865.17188 57185.99219 154118.2031 141549.9063 152870.3281 97521.53125 93850.74219 50830.48047 117429.75 53738.76953 227902.4688 231897.1719 165890.7656 200618.0313 140881.8125 139552.0625 154283.1094 121713.2266 166681.2969 117508.75 102201.3047 134644.9375 104894.1172 55227.03516 87348.71094 42153.54688 194844.4531 207857.5469 122491.8672 90869.20313 106231.8281 151941.5781 55571.91406 43839.17969 199767.8281 195838.875 174012.6406 213605.3906 141041.5938 157219.2344 131038.0313 108940.4453 N-Acetyl-L-glutamate 92765.16406 108352.0703 145777.8125 164070.8438 110248.4531 99386.65625 75175.6875 70960.02344 72899.39063 84306.33594 140033.9844 82109.91406 54352.71094 59643.87109 58083.44531 79965.40625 121468.7891 179158.6563 110918.9531 88670.08594 105252.125 75583.45313 0 102132.5859 42489.90625 158967.0781 34331.53516 75428.03906 36594.20313 110385.1719 188420.8594 97789.1875 97106.69531 85320.02344 165266.2656 61605.05859 44897.89453 101416.1953 116888.7266 96703.65625 115004.8438 34705.24609 44125.77344 80467.27344 72969.69531 111222.5234 97741.44531 129688.4766 98253.28125 96684.8125 85261.03125 85068.10156 78973.28906 88787.76563 66804.86719 55338.71484 79914.29688 19900.16992 106163.5156 128908.1094 109519.5078 115784.7813 104452.7031 117695.7188 82268 74919.74219 43187.78125 145829.6406 34420.91797 50391.39453 62683.73047 114502.5938 171238.0781 101345.9688 77254.94531 95632.1875 153709.625 46523.75 29753.70313 81181.54688 98391.09375 82343.10938 45280.10156 57161.78906 87596.42188 94051.875 112824.7578 100901.9844 180458.8594 107823.0391 90261.00781 129019.0547 73156.90625 67872.42969 88189.96875 35049.54297 107629.5547 69371.1875 28193.62891 88237.75781 103121.7734 81004.35156 121319.5313 85938.3125 106968.0625 101637.7578 98500.35938 112875.8516 72744.40625 93062.60938 76014.66406 60148.26172 61971.93359 46742.19141 104404.4766 188337.0781 84781.85938 80113.57031 95707.94531 115595.4297 58096.57813 44226.75781 71246.95313 84977.94531 92448.35156 38606.28906 43134.92969 84211.82031 111288.2109 101207.2266 125454.1953 100078.9375 98554.07031 107981.6172 72565.26563 59271.70313 114873.3047 30630.02148 113815.1484 30420.99219 67602.69531 65940.71875 51288.34375 87637.17188 113493.375 90939.75781 105680.9844 63949.97656 87319.57813 97204.02344 60361.50391 81154.11719 108508.8906 33276.04688 99256.73438 64701.01172 72876.34375 53442.64063 63730.47656 103881.8359 109707.5859 97378.48438 77967.23438 89754.25781 114462.4922 49255.40625 57623.44141 74491.05469 74190.08594 80554.21875 106944.5234 89050.85938 46633.76563 58743.09375 57053.24609 Chenodeoxyglycocholate 93680.21094 115316.3359 241847.7656 115797.6953 101622.9531 95995.94531 83881.84375 84810.28125 91301.03125 121397.4063 110117.6641 75648.92188 108929.1719 96686.35938 86979.64844 92233.22656 170452.9688 126731.8438 94595.69531 128744.1484 103317.6016 96427.77344 89644.23438 114083.3203 110694.7109 111956.5313 69132.58594 104782.9688 83613.625 130979.3672 120837.5313 87022.21094 106601.5625 107098.9922 104854.6172 70585.92188 69229.91406 72107.29688 152444.9375 95127.94531 84775.26563 79180.60156 87943.38281 83493.89063 103776.3594 133999.5156 150001.8906 127921.1094 111813.6094 586471.75 111229.0625 146306.25 106430.7656 113423.6406 68329.42969 78506.10938 81709.27344 85906.63281 112735.5391 131091.4219 163623.4688 124491.375 104737.6094 111812.9922 131059.3906 118334.4063 117325.375 102153.9844 65987.10938 83309.21094 78767.71094 152482.5 131097.8125 123451.0078 115005.0391 124705.9609 129565.5938 106075.7734 86888.34375 143776.9844 102315.6797 112649.4297 130841.9766 63002.77734 95996.03125 92703.64063 118799.75 143762.7031 115435.3516 107674.4141 103228.1484 95208.46875 71056.22656 87551.00781 110030.875 112535.6563 92779.375 83728.89844 82153.94531 89611.85938 154535.0469 137405.4688 133311.8281 107213.5703 96897.04688 100029.1953 80411.20313 88995.90625 137688.5156 80228.34375 70765.39844 66162.99219 78100.94531 66111.03125 133371.0938 129162.7109 120706.1797 73469.85156 121733.1172 69522.46094 77147.3125 68719.00781 106557.9609 136246.1094 108040.8125 77160.74219 131312.2188 84362.11719 59464.86719 110656.3828 123651.0078 130642.1172 119250.2656 65402.53906 77519.57813 103484.8359 110121.9141 103733.4453 90156.08594 96928.60156 64421.85156 80941.92969 63834.04688 109408.0391 104721.7969 133872 84648.74219 139200.9844 73847.61719 106746.9766 84338.96875 86943.41406 126720.0391 101345.1797 85949.90625 58443.85547 93520.57031 52339.52734 69369.875 105985.8828 94787.53906 108547.1953 110887.1719 221070.2656 74884.53906 81412.50781 76256.67969 128411.2578 117014.0391 116777.7734 81219.90625 101239.2656 113832 63281.06641 67513.82031 Ala-Ala-Asp-Tyr 70643.47656 64478.94531 63445.90625 60010.61328 47872.69141 66331.42969 36949.92578 0 0 0 0 0 0 0 0 60146.67188 82131.69531 72237.73438 43230.77344 58244.59766 42712.37109 33846.30078 0 0 0 0 0 0 0 64478.74219 89699.25 79667.1875 51186.76172 0 0 0 0 71615.36719 87650.47656 46825.9375 45689.24219 0 0 0 53567.95703 70805.74219 82890.61719 67912.96094 62285.49609 75316.83594 61368.65625 0 0 0 0 0 0 0 85557.82813 74380.22656 76440.58594 63064.54688 69368.32813 52456.03906 50242.37891 0 0 0 0 0 0 75078.4375 68056.15625 73085.55469 51938.71094 0 0 0 0 74071.36719 48891.32813 0 0 0 0 32360.97461 47680.40234 35808.9375 43991.17188 30337.3457 44085.34375 27382.06836 29071.58789 0 0 0 0 0 0 75467.85156 70426.49219 93895.35938 66344.26563 64550.10156 75049.08594 46378.26172 0 0 0 0 0 0 0 0 72784.00781 100177.4141 75698.74219 41566.32031 0 0 0 0 63008.48828 82580.02344 60521.10938 0 0 0 0 10126.375 17334.99023 16405.05273 13538.4502 18093.70117 16938.63086 0 0 0 0 0 0 0 0 107681.3438 82168.48438 85160.17969 69574.95313 62580.71875 73710.96875 56036.77734 46116.57422 0 0 0 0 0 0 0 0 39674.42578 50693.52344 50293.5 43349.17969 0 0 0 0 52137.54688 59028.10547 54069.76172 40845.69531 0 0 0 0 N-(2,3-Dihydroxybenzoyl)-L-serine 48364.9375 80815.57813 25016.00195 92370.58594 31119.24414 29510.89648 23513.81445 52936.71094 104679.8438 60230.67578 166428.7344 49455.91016 22270.20117 65291.14453 23063.93164 47150.71875 31173.23242 102185.1094 33758.45703 39587.8125 44261.83984 19301.75391 46199.19141 127210.5547 57065.64063 145134.2969 42839.22656 33898.81641 21884.56641 91181.11719 83338.50781 43706.3125 25831.54102 111720.6406 164562.6406 30790.35938 18902.44531 45409.5625 36556.64844 36748.33203 70822.46094 46910.44531 41795.01172 38288.23828 41952.40625 80848.58594 29354.41016 77480.92188 40534.14453 40521.50391 21984.39648 61381.90625 100834.6953 43250.61719 42757.59766 29995.17969 71786.1875 17578.96484 44428.82422 93178.4375 36388.77344 86779.27344 42881.80859 62756.46094 20854.00195 111508.6016 50551.67578 161336.2813 36401.44141 33988.77344 23859.6543 91183.72656 79516.17969 44099.68359 18596.56445 101770.5 148148.3281 34121.80469 20518.17383 34917.28125 38854.82813 49187.82813 51971.83203 42169.76953 93597.89844 34608.64844 71639.49219 32159.65039 90925.21094 34698.57813 42051.02344 90739.61719 23066.39648 56686.99219 114943.7422 58225 39122.01563 35236.44141 27204.73438 33200.08594 84162.94531 33172.45313 86821.70313 34692.95313 50406.87891 27290.45117 54788.75 118361.1875 56940.33203 156973.625 52900.16016 37655.46484 83324.4375 20072.03516 74678.35938 85408.76563 45490.34375 31586.1582 108673.7656 144793.6719 24495.65039 21699.18359 37680.51172 29638.63672 43851.26172 47210.60156 49766.23047 46868.53906 74002.79688 40302.64453 75775.66406 35896.64453 39092.02734 47038.20703 22829.16016 54373.21484 111253.3828 60674.38672 146156.4219 39791.63281 32357.16992 76193.92969 24280.20703 37878.44141 72252.17969 30933.18945 94557.17969 31725.9668 45572.50391 72386.84375 21362.98828 57541.60547 116500.6719 50070.50391 148805.375 48030.10938 28272.88867 75332.10156 24983.39453 75319.89063 74702.42969 42483.98047 31440.91016 105750.0469 151464.125 28869.72266 22382.75391 38338.85156 27011.10547 40569.49219 73525.71094 54937.17578 57906.91406 42921.26172 76492.42188 6-Methylpretetramide 19462.88867 79039.80469 139474.7031 695161.8125 21057.39258 17624.51953 31064.66602 17809.80859 107368.6563 325192.375 772913.6875 26567.00781 24687.69531 17474.69531 39866.05859 18057.53711 194887.7656 681809.375 15998.8291 15297.38965 16838.02148 20101.08203 21267.83008 113122.0234 286024 1085904.875 29762.91602 33427.37109 25084.70508 83155.05469 630807 22662.96484 31621.58984 89029.17188 1235937.5 35068.65625 27664.10156 17216.81641 195429.6094 22492.53125 17856.05859 13068.93164 204006.4375 21351.84375 26376.50195 80373.75 157431.1406 487819.0313 28972.69727 20156.75586 32318.89063 17265.80664 126051.8438 227847.8438 27926.52148 24879.66797 12778.51563 26822.37109 26426.05078 112950.625 188658.6875 468255.5938 19532.26758 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25692.91211 43337.70313 28565.43164 572903.6875 678970.1875 918245.3125 889505.25 805713.3125 885152.875 496431.5625 1006668.938 115036.8672 96398.07813 65650.10938 49072.16016 75496.14063 41451.65625 45542.07813 38504.125 615671.25 720204.25 701024.6875 1036883.063 83748.10156 68845.1875 38872.44531 31976.32422 417620.875 723952.625 794207.6875 481228.4063 104660.1328 58229.42188 67417.03906 43640.9375 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 54482.96484 39748.58594 41681.0625 23773.85352 20448.89063 18433.23047 15463.49414 43710.45703 32288.6543 65086.51953 32679.875 64644.72656 21166.60742 13224.9541 16291.57227 50511.66016 31818.75195 34540.33203 26610.30078 35231.10156 15628.57813 12454.61035 50957.55859 56939.4375 38857.14844 23727.37109 20450.58398 19767.7832 13019.87598 26775.31836 26917.80078 27362.97266 42036.32813 24722.25391 28208.57422 29964.76563 14723.24414 40201.48047 61864.30078 22407.64648 32435.64063 54094.04297 29483.81641 22125.17383 44753.28125 27622.62305 24842.29102 19045.61523 17839.72656 31505.04688 17245.81836 44709.52734 25515.8457 37173.46875 57360.07031 18616.69531 10139.17578 10746.92285 53803.25391 29323.88867 37020.95313 16022.46875 24036.11523 26396.91602 17345.26367 25629.28906 32973.50391 22249.94141 21044.15234 58362.77344 13865.08691 42228.69531 18122.72266 24592.04492 15959.68359 23957.2207 68070.94531 19431.23047 16610.45703 22975.11719 22170.35742 33027.09375 31838.24414 20817.50977 11112.90918 47353.01953 31796.77539 40394.37109 30981.14453 23172.94336 19971.90625 33044.16406 19949.0625 67306.30469 33858.47656 29713.3457 24634.17578 52597.20313 11219.57324 36708.88672 29174.0293 27000.22656 22533.8457 28242.58008 22573.9082 14148.63574 41405.61328 34487.65234 80942.70313 20589.54883 30445.10742 17070.84961 12898.57813 32944.95313 33568.14063 58340 25585.75586 12750.18066 42567.05859 47515.09766 18611.94141 11788.41699 40031.25781 30463.39648 20509.3418 40694.21484 27779.83398 18027.68945 16587.82813 41146.70703 23799.95313 25318.15039 25138.51172 12506.19531 16413.2793 36825.67578 47640.24219 29774.28516 19804.42773 26530.67188 15991.64355 24879.68945 17112.71875 48322.79688 25681.30273 19317.80078 19609.20117 21093.71289 23340.91211 12564.51855 14919.91992 38962.03516 25563.73828 22993.53125 36700.02344 20990.03906 13106.57324 12464.45313 12595.93848 27732.25586 41772.02344 20218.97852 14062.97852 25176.02344 15623.34375 13545.04297 18899.29297 38662.09766 21145.32422 61196.35547 27798.68359 47821.31641 33788.00781 26612.77734 12716.51172 [FA hydroxy(18:0)] 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid 69609.65625 126172.2969 92627.8125 118875.2578 101047.2266 123417.1875 98686.32813 45605.96484 94511.60156 115882.4688 149274.7344 97055.1875 97684.08594 114730.1719 94399.71094 66048.29688 93072.96875 115025.8047 91680.54688 109207.5469 109133.4844 122592.9297 47937.84375 134197.4531 95880.5 125046.4297 89370.70313 93757.58594 100055.7031 114122.8594 121035.9688 105917.9766 83840.17188 128307.3672 118236.4219 95957.24219 112617.1484 56512.11719 87337.10938 87768.32813 105276.9844 51116.91797 79732.35156 87000.6875 54270.56641 134352.75 103811.2109 108085.9609 106982.6406 126278.4219 90104.60938 64094.92188 102941.8828 85847.14063 87551.10938 94104.75 105702.0391 120177.7891 71774.5 114312.1172 114069.8438 124195.8594 94009.75781 109747.9219 128431.375 136830.8594 90980.50781 128679.5781 85439.96875 101776.7656 123084.7031 137539.5469 116991.125 113260.7188 164191.3906 121127.3906 132779.4688 96712.375 124917.5547 94568 95052.8125 74457.46094 89842.04688 100615.6641 63636.78906 50877.07422 109734.9219 87426.55469 138204.3438 103581.4766 105921.3906 87220.77344 120219.0234 59203.82422 129557.25 123089.9688 86437.25781 94614.33594 117127.5547 57699.38672 116887.4688 94250.76563 113494.0234 98449.5625 99860.35156 87570.35938 47859.82422 129365.1563 79809.04688 106697.9141 99240.60156 96470.53906 95513.96875 153299.3125 134146.1406 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168164.5 212982.75 134622.8906 686859.4375 989371.625 729092.375 426840.9688 317332.875 342168 175471.9375 152405.7344 434108.4375 505579.3438 451169.375 160780.4219 156057.25 152006.7969 236884.3438 230786.5 396821.1875 227999.4375 221829.7969 302153.75 255875.3125 154222.4219 266461.9375 149509.5625 319329.375 121921.3281 178087.5313 210799.6406 153361.9688 548255.875 744756.625 488169.9375 789433.375 559782 681748.5625 635633.5625 496093.5313 130130.6641 305528.5625 160850.2344 329281.25 145564.0469 182679.7344 201037.0938 161428.9844 513396.9063 683801.625 495968.0313 435370.5 289992.2813 315832.0625 179460.7969 177281.7969 331408.7813 359620.7188 422263.0938 495509.0938 156979.7031 158318.5625 141179.5625 207613.25 2-C-Methyl-D-erythritol 4-phosphate 213460.6875 280268.5 159725.0156 448929.625 198303.4531 137257.5469 172976.1875 201934.3125 491509.0625 827501.4375 898497.6875 376440.25 580737.5 323485.8438 293283.5313 264895.8438 212659.7031 254289.0469 188263.2344 48855.02344 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107002.7578 61258.49219 135775.9688 71899.92969 108506.5547 108384.875 34487.50781 108426.5313 54919.87109 50696.47266 47542.04688 61813.12891 55225.3125 27526.75977 49324.58203 130635.5469 54966.23828 153102.5 76401.71094 114284.8438 112899.8047 103976.9766 32413.47461 39850.48828 46303.11328 54123.85156 56135.88281 66970.26563 119001.625 90548.33594 56814.34766 47070.125 66474.49219 38885.08203 133975.6875 128639.4531 107027.9219 48061.96094 27251.57422 45045.91406 41180.65234 72128.70313 47072.0625 56028.21875 109343.4141 53306.70703 115835.7109 96702.27344 117521.3906 43972.98438 91881.60156 65605.22656 27819.52539 42225.30469 39103.09766 44620.57031 29729.71289 45866.85938 55645.77344 125610.9141 79982.85156 89960.72656 119150.6328 109776.1328 27638.08398 41968.01172 48112.30859 45182.87109 46419.73438 78180.14063 114506.7031 103177.3125 59266.55859 64082.54688 118768.2109 128448.1641 99053.35156 51246.03125 62085.06641 32222.62891 44800.86719 43100.98438 70464.57813 49571.97656 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166160.5313 161211.7188 95788.07031 226383.5 151649.5781 161143.4844 217738.5 240497.1406 166915.4688 107726.2656 241412.0625 186750.6406 197229.7188 165071.4531 192628 253135.1563 162564.4375 232155.2656 165988.1719 153992.4531 215085.2656 201976.6719 176514.5156 274714.4375 212637.6875 273680.2188 212160.5 175946.5469 238337 283715.5 125229.3906 101636.125 169562.4844 205545.4688 212302.2969 200606.0938 179193.2969 252243.8125 125351.0469 103398.0156 218968.7031 193469.6563 251894.6563 220170.1094 205158.2344 152996.9688 77793.27344 210455.8281 190305.4063 211952.125 247735 201622.4844 235291.9063 192518.6875 247455.5781 178573.7969 199336.0625 100749.1016 287948.5938 103352.6797 173832.5 237883.7031 217767.7031 154197.0156 143724.4375 176554.2031 196692.1094 108984.4922 165538.8594 201485.5781 176381.8281 184360.7344 207366.9531 289429.7188 286727.5938 110489.2109 143800.2969 253671.625 162874.5781 241293 194177.5781 208753.1406 221512.9375 274419.5938 151193.2813 202368.6563 178112.8906 278563.0938 154990.1563 178042.3594 244526.7969 252892.75 85487.46875 D-Sedoheptulose 7-phosphate 7798739 4264375.5 3538145.5 2463570.75 2306110.5 3288332.75 3783673 6842358.5 6730039 4667254 4792287.5 7726563 10900000 5971997 9580269 7098209.5 3607761.75 2612228.25 2441963.75 3697526.25 4602533 2863571.5 770341.5 7817151.5 4305852 4578373.5 7110034.5 13400000 8856068 4106822 2536386 3873639.5 3850926.25 7092244 4557384.5 13500000 8077073 7014216.5 3514209.5 2452981.25 5590953.5 4248771.5 3795109.25 7111409 6452568.5 4800861.5 3626633 2902756.75 2662433 4192923.5 4452399 6301288.5 6574130 3756674.25 6486269 13400000 5714229 7584096 7128996 4463813 3690118 2867053 3869235.25 5455547 4092097 6791454 3729099.25 4216815.5 6431464 13100000 8950631 4922691 3237758.25 4182073.5 3888314.75 6730450.5 4421132 13100000 8320406.5 3808692.75 2461298.75 6296633 3813076 6706764 6934195 7250476 4770555.5 3892075.75 3162040.75 2646882.5 3977324.5 5839537.5 3624428 8501145 7512530.5 4641100 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251469.4531 276839.5 310537.5625 275694.4688 290879.625 353060 368919.9375 265738.5625 462835.2813 280604.9688 425127.75 388190.8125 493123.6875 263489.375 207460.9063 260946.0313 302192.2188 304154.8125 448050.6875 345621.875 324397.1875 282571.9375 235426.875 308866.125 331426.9688 281051.5938 372809.5313 363611.4688 293824.625 292812.3125 311621.1563 442448.6563 306516.2188 340321.4063 429992.7188 244329.2969 305669.5625 302774.7813 280435.4375 278892.2188 343005.125 313264.75 395242.5 287020.0625 363342.8125 258638.4688 278734.6875 361303.5625 343913.8125 397641.9688 321403.1875 312364.2188 241250.4844 380874 334259.2188 373948.6875 358529.1875 333676.75 260493.9688 226368.9688 299644.25 298262.1563 269622 240730.4688 272149.5938 PE(38:4) 2235903.25 1875153.875 1816201 1814418.75 1453072.375 1415434.625 1537737.375 2177488.75 1849474.875 2026185.25 2115489.25 1872882.125 1616172.75 1820082.75 1963225.5 2142118.25 1508215.125 2088599.125 1470677.125 1308138.875 1940680.75 1625473.75 2460486.5 2028736.5 1763822.25 2195489.75 1629029 1641661 1810249.125 1977699.875 1826625 1668677 1549771.5 2237763 2141209 1728746.125 1833512.25 2363252.75 1463329.75 1664092.25 1526821.375 2328367.75 1654572.25 1712330 2283483.25 2024488.75 1757527.875 1535678 1765004.625 1593782.5 1554999.375 2428833.25 2125489.75 2033225.625 1674896.875 1516452.625 2010621.25 1582261.25 2801820 2047160.25 1838780.625 1555579.5 1462249.625 1620333.125 1639217.625 2245634.25 1645468.75 1831749.25 1610662.875 1436743.625 1707024.875 1963616 1687638.75 1640847.25 1759982.125 2271455.75 1998294 1827024.75 1592093.125 1842960.5 1848777.5 2214382.5 2049866.375 1873870.625 1842125.25 2266326.25 2077966 1690485.875 1924468 1885602.875 1708423.25 1888688.125 1539443 2205927 2252554.25 1731568.125 1608750.875 1571112.375 1458977.625 2110075.25 1727162.375 1612665.625 1683418.5 1436379.75 1618188.375 1742272.375 2131388.75 1825284.75 1683114.25 1609126.5 1506381 1692085.25 1645320.375 1786907 1874092 1892099.625 1542811.125 1390344 2206387.75 1900833.375 1689261.125 1443102 2037982.125 1728525.25 1328579 2119273.25 1619274.625 1837253.75 1653675 2154814.75 2007763.75 1750143.125 1649891.375 1630927.75 1446161.5 2300714.5 1901764.75 1611121.25 1709525.625 1646720.625 1680416.875 1836929.5 1661205 2090027.25 1903840.5 1520594.5 1718569.25 1541324.625 1524229 1599835.5 1728346.5 1935088.5 1878124.375 1628392 1799045.375 1519876.875 1704513.5 1796653.5 1557543.75 1956794.5 1881254.375 1562944.75 1589678.5 1846039.125 1545509 1768995.625 1710265 1980043.625 1824532.375 1624421.25 1695959.375 1978684.25 1923492.375 1559617.75 1803765.875 FA (20:0) 2561607.5 1166558.375 1584286.375 1216579.75 1212481 1707031.125 1234728.625 1775281.375 1134515.75 1522095 1267421 1360288.125 2711646.25 1329440.75 1275500.5 1653857 1479990 1196149.5 1237793.625 1667063.875 2188063.5 1218366.5 2612253.25 1245421.75 1364277.625 1644466.125 1250930.75 1349516.75 1227327.875 1085291.75 1348793.875 1156490.125 1140989.25 1330097.5 1421883.5 1277437.625 1967463.5 2273313 1665092.625 1674782.625 1659947.875 2283547 1529077.5 1156652.875 2357166.75 1150475.5 1773670.75 998490.75 1578716.875 2091131.125 1084261.375 1818902.5 1322347.875 1521280.5 2060592.125 1120400.375 1825849.5 2492126.5 3140999.5 1152551.5 1652072.375 946857.875 1346081.125 1569008.5 1506130.125 1404399.75 1339033 1191091.625 1629786.375 1342238.375 1164097.875 1379840.125 1113620.625 1662933 1354760.75 1246561.5 1306766.875 1358786.875 1270719.125 1349737.375 1341888.25 2488234.25 1505255.75 1186531.375 1241825.625 2039066.625 1121881.75 1235299.875 1341133.125 1572000.25 1920020 1306498.25 1777992.625 2089663 1117350.875 1396235.5 1264293.375 1186677.875 1137312.375 1943212.125 1413607.375 1255546.625 1166014 1102440.875 1122348.25 1421871.5 2089252.875 1207818.625 1438794.375 1169291 1025221.25 1024386.563 1544083.25 1869753.125 1214892.75 1124571.5 1187002.5 1129298.375 1241260.5 1078820.5 1619241.625 1553770.25 1537658.5 1116975.25 1072595.75 2079347.5 1324767.875 1453754.125 1612339.75 1904036.625 1162421.125 1129480.625 1121517.25 1017706.438 1158529.625 1823069.875 1139485.625 1220294.5 1179024.75 1323190.875 1327328.75 1158374.5 1549859.125 2824963.5 1437899.5 1519107.625 1165628.5 1323012.625 1213373.25 1876807.75 1591588.125 1454895.625 1479647.625 1535745 1985788.375 1429255.125 1399716.75 1786745.625 1498421.25 1315037.75 1213945.625 1188908.625 1672307.75 1570585.375 1233095.75 1580578.875 1855125.25 1760690.125 1515870.875 1188986.75 1310629 1395889.125 1491027 1183307.75 1415063.375 PIP(38:4) 220100.7188 63585.86328 127513.7031 133556.1563 194718.8906 152274.8281 161249.4688 446683.375 112532.7422 399608.8438 305795.3125 352409.5313 288619.6563 318308.875 226586.75 201979.9688 106972.9922 125568.0234 146299.1563 168118.0156 157159.5781 143150.75 707187.625 165048.5156 440653.1563 358146.2188 447070.25 279709.875 261914.4844 73428.14063 115971.0703 140154.8438 120620.6406 120137.1719 279706.125 274534.875 347176.4375 160534.7813 108735.1563 192755.1719 191089.375 647665.9375 344766.5938 369474.4375 243374.3125 68923.55469 123510.7813 128373.625 184045.5469 144209.1719 80865.63281 446062.1875 146454.6719 340920.125 273878.5313 213514.1094 247867.3906 160346.75 229368.0781 81615.25 145438.8438 127888.6641 147857.6719 110606.0156 90899.8125 191264.3594 307523.6563 202905.6875 325421.0938 202887.1094 224162.5938 46274.54688 144231.6094 164020.25 92739.59375 156949.1719 162733.5313 282092.8125 149088.6563 137907.5625 224802.2969 376167.8438 293450.25 410110.4375 233500.0469 145035.4688 66329.71875 103731.1172 148589.0938 178359.5 126288.0625 196032.0938 136942.8594 354680.7813 153145.1094 327193.625 270371.6563 196234.1719 192384.5938 94233 72983.07031 125300.6875 106037.1719 248601.9375 147416.9688 144403.9219 416539.2188 130930.2266 323377.5313 200691.2188 380399.8125 297100.3125 410535.75 319590.9063 52227.26172 132286.7813 120209.5078 89473.5625 123409.3828 176548.4063 210525.875 283779.9688 98707.75781 90218.76563 181587.0938 416597.125 261307.8594 371686.0625 379740.625 130769.0938 39120.58203 137682.8438 227904.9063 130943.7266 76976.40625 290122.375 90193.71094 308054.7188 129064.7422 341953.75 164639.2656 345562.6563 206220.4844 128316.5859 74762.96094 153539.1406 78354.78125 283662.1875 120500.9219 162806.9375 146085.8125 275474.9688 126212.25 419022.7813 225730.0469 558645.5 204625.2813 452885.5313 250627.4375 50963.01953 59910.75 141107.3281 113523.4844 129958.0703 154742.5469 291924.7188 180630.0781 66668.15625 116489.4141 223032.125 159192.4375 257300.9063 325284.5625 435655.625 313749.5 Thr-Gly 181666.4375 158893.2031 190753.3438 271443.875 104021.2109 176863.4531 77556.625 9902.494141 9215.367188 0 17752.28711 12432.52539 0 18123.9375 0 201858.5469 196345.0781 298901.2813 124184.2422 178974.1406 99917.66406 58752.77734 0 14075.28125 14282.7627 0 13424.35449 11534.13477 0 226699.7031 432197.9375 302431.6563 106241.4531 0 13238.96777 11262.0791 0 237262.4844 227836.1875 122253.2813 161177.75 0 0 22270.08789 178883.3281 274457.4688 238474.6719 270605 140002.4844 274492.3438 178527.7188 15022.00391 13913.8418 0 12381.74219 14043.32715 10250.37793 0 247661.7656 262045.875 259684.9063 207677.1719 255762.0781 205441.2344 137419.4531 9562.495117 0 14186.0957 11933.09375 0 12869.66113 315608 295422.4688 270730.2188 159589.4844 0 16185.91016 23189.29297 0 236417.1094 148077.9063 15127.30371 14012.53418 8628.045898 24577.45508 58849.10156 85516.5 69491.82813 145032.3125 76191.85156 77875.28125 57676.42188 52813.55469 11059.32813 8861.444336 15232.55859 10736.34375 10141.20313 0 292546.625 256511.7656 321398.125 348541.4375 237648.3281 301068.2188 200793.4688 12291.55664 9919.225586 0 21967.18945 13746.14453 12193.11328 20618.13086 10292.53223 195797.25 483177.4375 243661.9844 136211.2188 11729.87891 25900.07617 11985.08301 0 203318.8906 280022.125 226429.3438 0 0 11648.3584 10981.96582 39488.42578 48305.61328 34669.83203 41199.83984 44975.08203 37063.82813 22462.11523 11183.18945 14534.20996 16683.01367 20065.56445 10873.00488 21337.45898 0 285200.2188 317230.1875 349929.8125 405289.7813 263003.1563 344868.0938 171374.1094 221261.9375 25977.77734 32171.34766 10321.6875 29391.6582 25966.32031 11013.5957 14710.89746 0 147603 252632.9844 203176.875 149229.875 13216.43555 14147.625 14775.10156 0 135727.875 195665.8906 227783.8438 140934.1563 15758.29199 0 17928.58594 28031.48828 PE(34:2) 2002597.25 1122215 1509305 1002567 1390649.25 950698.25 1098704.625 1380036.75 669033.125 1393990.25 726194.25 1083635 762531.4375 640468.3125 758081.5 1944883.125 1460843.625 1124684.75 1540764.375 918932 1034884.25 1049897.875 1381422 718345.1875 1135581.375 725906.375 959469.1875 806418 879347.25 1236064.875 1056599.625 975214.75 1151413.75 740147.4375 741327.625 785157.1875 737849.625 2058526.375 1463915.125 1329105.875 1056287.625 1537850 1079453.875 999159.0625 1886143.125 1148777.875 1702752.625 1141800.25 1436285.75 1136864.875 1115107.375 1440691.875 698949.625 1255471.375 1200271.375 727029.3125 752916.25 770873.4375 2094359.75 1084917.75 1850646.875 1050040.625 1040231.938 972371.5625 1154592.875 755791.25 1202303.875 615061.8125 1052618.25 758557.1875 742132.3125 1269519 997827.25 1186560.75 1074816.875 692118.75 723289.8125 718565.0625 763122.3125 1482676.375 1395594.25 1476687 1180118.625 1153889.125 673010.375 1850806.875 1116202.375 1712876.625 1074617.125 1468153.5 1058937.875 1179458.875 1063057.875 1586809.75 758894.75 1271781.375 1150440.25 748597.4375 664025.5625 1882359.125 1143840.375 1559209.25 989977.6875 1427507.375 1085651.75 1074028 1502601.125 757941.75 1137921.625 655021.1875 1009460.688 670491.5625 579058.5 663042.75 1124706.625 1126869.25 1065309.25 1099693.875 765755.375 594412.625 869448.1875 741197.8125 1831086.125 1445405 1260190.25 1423198 1114849.375 1044283.188 639060.6875 1809539.75 1107234.5 1572052.625 1395967.875 1042658.563 1108899.125 1589146.5 768609.875 1079658.75 699565.0625 1008447.125 830959 613370.125 685593.5625 2043231 1191876.5 1465776.625 988592.125 1507660.625 1004647.188 1054463.875 1215252.875 1412915.25 674537.125 1100020.25 701977.75 1073186.5 794501.625 555847 760862.6875 1105794.625 1084550.75 1058678.25 1253892.25 751202.1875 651426.5 786929.25 748858.125 1987377.125 1503240.25 1411700.625 1194041.625 1388696.875 1183760.125 1064102.75 582314.3125 3-(ADP)-glycerate 142741.2188 86283.77344 101450.8047 174500.3125 113064.0391 86726.73438 108688.8047 214270.375 202830.8125 383756.9688 379525.5 149468.3125 118234.2109 99613.16406 120015.2891 152273.3594 111126.6094 174232.75 128973.0781 74241.83594 85674.52344 88319.29688 446800.2188 264563.9688 362868 376647.5 165085.6406 160026.6406 111686.5078 133098.2656 152346.4531 109975.8359 104972.9375 234977.3125 397344.8125 136442.6875 116976.4453 151440.125 119129.8672 134443.2031 106996.7578 354267.375 276678.8438 161761 120345.3438 99437.91406 103587.4531 151522.6875 113243.9375 101459.75 85220.32031 229546.5625 240053.3906 360736.7188 164640.4688 151823.3594 97074.91406 122993.6875 149613.625 89851.58594 106240.7109 138085.1094 101543.125 114712.1563 89058.16406 233480.0469 313227.375 406227.7813 168434.4375 180536.6406 130243.9531 112168.4609 131608.6875 108777.4453 78721.35938 261338.9688 399036.6875 147839.4531 97738.40625 87185.15625 110033.3125 226019.5625 314983.375 154501.8906 119035.7734 146484.2031 97701.92188 102837.7813 172724.1406 144050.1719 81453.05469 114433.7578 106807.2656 178288.3438 216982.1719 307427.0625 140719.875 145272.75 132446.3906 155211.3438 108876.875 111001.2578 129650.6719 115188.2578 96566.92188 114159.5391 218582.1406 215814.2656 300693.2813 342549.9063 172350.7031 152360.5156 100284.2422 101321.3906 107244.5625 176383.0156 89855.17188 97046.83594 231559.9688 320758.4688 129256.1641 117980.8594 140244.5313 103428.0391 130365.2734 226490.3906 270057.6875 162558.1563 101336.9297 152961.4844 97985.08594 101704.7266 132213.5469 108881.3438 112811.7813 218250.375 218935.8125 288120.8438 313659.7813 123865.2344 161593.7188 86215.73438 131023.8125 149803.3125 98478.51563 95856.29688 115244.2969 93780.375 101628.7891 94597.3125 95648.8125 191802.6094 200500.4844 271522.0938 308007.0625 155676.3438 155346.0938 88983.23438 134384.5156 121626.3281 122050.1953 104527.3516 111961.1328 243204.75 377257.4688 147619.2031 145505.5781 144804.5938 106305.4453 149687.3281 109187.375 196552.9844 266576.1563 142941.9063 76985.6875 D-Mannose 1-phosphate 1258730 687763 749708.1875 787973.9375 1045501.625 738468.875 1373584.875 9722222 4323445.5 6197829.5 5740850.5 4429216.5 3401323.25 5816174 4872369 1347175.75 916567.8125 671861.875 1136144.125 878099.3125 633856 1070594.375 2535917.5 4275819.5 5769200 5824681 5019164.5 5000693.5 5281695.5 845881.5 742550.3125 982272.4375 1282946.125 4567184.5 6151714.5 4478710.5 4783387 1244231.375 845686.5 1186611.375 979987.0625 5931803.5 4495214.5 4617386 922806.9375 670906.375 942365 999306.5625 1223850.625 1020530.313 1198476.75 8235659.5 3415578.25 4394629.5 4481325.5 3456258.75 6685024 3513362.5 970215.625 822178.8125 1062924.25 863377.625 1195916.25 890499.125 1220385.125 3505783 4604652 5139486.5 4531846.5 3076097.75 4482935.5 793770.375 858223.4375 1082809.75 825254.5 3868174.75 5466318.5 3226974 3897935.5 990394.9375 1203092.375 9313490 4529198 4540580.5 8023489.5 1008995.688 633396.125 973350.25 702318.9375 1204976 1050245.625 1085280.125 1272338.125 8682539 4207709 4796268 3881582.75 5629787 5078330 1026750.063 771375.25 929066.625 954067.1875 1358152.625 1087935 1364364.75 8835767 4481632 4730140.5 7081178.5 4646554 5979867.5 6951919 3880338.75 667739.125 654452.375 1155922 1397730.25 4032521.75 7148441.5 4994371.5 4917266.5 1124353.25 882596.3125 1232275.375 9088285 4672586 4141223.25 6028948.5 1379734 738850.4375 1095922.375 1622240.75 1170335.125 1226929.125 7111250 4148602.25 5555313.5 6987980.5 3646158.5 6491728 6054920 5476663 1236366.5 700666.5625 1042474.438 961490.25 1085500.75 1260333.75 844019.875 1157087.5 8361170.5 4121616.5 5939134 6251838 4537165.5 7437269 5910587 5880264 765182.5625 846149 1079458.625 1331904.375 3542467.75 7430122 5887457.5 5469726 1051831 1019660.688 1323200.875 914345.3125 7467934 6055904 4382567.5 6570079 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 494989.4375 467799 401094.1875 359731.3438 337671.0313 313861.4688 353467.6563 440470.0313 302844.6875 502401.5313 492366 354295.3438 350715.125 484360.7813 502749.2813 581861 360516.875 448248.0938 300113.9375 190449.6719 456849.9063 400177.1563 529214.125 320687.5625 370630.25 481331.7188 332031.9375 322758.7813 430813.6563 442008.8438 445921.6563 386956.7188 286987.5313 438619.5313 498607.625 402562.5938 334116.4688 495459.625 405366.9375 346658.2188 387838.1563 613348.5 363611.4375 369078.5625 525560.875 396509.1875 407454 382394.9063 407383.8438 313458.7813 298716.125 546449.3125 356909.0938 409868.25 363956.2188 295645.8125 424204.8438 288432.9688 905231.3125 401516.3125 408000.375 349563.7188 286435 385828.9688 352994.8438 427170.5938 381964.125 441358 327736.7188 309546.2813 326578.625 458494.9375 424682.7188 350470.5625 406500.9688 436875.4063 466789.125 334748.0938 290814.5 377546.25 467405.7188 517151.5 393213.375 396814.4688 367881 554465.4375 426319.7813 417447.0313 478671.0625 439695.3438 313885.8125 351171.2813 363513.1875 620599.3125 414810.5 406501.4688 322651.2188 308460.875 295553.875 507076.875 338926.5 348340.125 317020 335623.9063 281333.5313 371777.5313 762739.25 360627.375 378927.25 332492.7813 256294.9063 323190.6563 352200.0313 405854.5625 399272.75 522228.75 295553.8125 330828.875 402739.5625 386936.2188 320808.5938 329889.75 432996.2188 365255.9375 323157.0313 628096.6875 385890.4063 393456.3125 312435.1563 540692.6875 383677.2188 329920.7813 388114.5 404922.75 318524.9688 629610.5 318420.3125 405557.4063 338614.625 343267.7188 349333.8438 432994.625 316142.25 680669.375 451120.2813 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27411.58203 53797.03516 37193.83594 51382.375 49127.60156 36024.05078 57116.99609 37349.91406 22170.08398 42357.67969 35257.73828 31711.83398 28093.74414 34759.93359 70897.61719 38018.05469 28457.20703 42946.48438 27593.89063 33765.38672 32360.31055 34044.19141 38779.92578 43962.40234 36372.51172 33893.625 36715.87109 42553.41016 39349.37891 38161.45313 38514.57031 43585.96875 21565.18164 32324.61719 26593.6582 50892.42188 25105.66797 34493.10938 29786.20508 74950.47656 PE(36:3) 1541558.375 1346449.75 1525273.625 1384842 1259779.5 1079156 1055487.875 1781481.625 1067267.375 1601524.875 1119520 1293738.625 1041078.438 1082070.625 1260646.375 1834677.625 1356660.75 1287911.75 1369178.75 945663.1875 1269024 1199959.625 1532275.25 1072312.875 1477844.375 1252213.625 1252081.875 1157631.125 1168500.125 1340570.375 1336548.125 1115643.625 1108953 1250760.25 1279371.125 1121766.875 1067759.875 1622426.625 1399451 1242100.625 1086852.75 1565979.875 1310965.25 1219458 1519965.25 1289103.75 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202179.3906 413248.875 1013814.75 134539.4063 796229.4375 823954 565984.75 478384.6875 643121.875 165371 619536.4375 126100.2578 688019.125 300496.5 473728.9375 826464.375 123236.3906 783984.5625 204680.5313 890788.5 487524.5625 78685.41406 357404.2813 117905.9922 145416.9375 338401.8125 452332.4688 128005.9766 232293.9688 559948.5 404744.3438 872117.1875 650683.0625 681234.875 880103.0625 740160.875 824497.8125 85152.3125 1029876 128457.1406 682723.625 637497.375 282362.125 510111.9375 995944.625 120856.8906 783833.5625 222399.9063 774370.375 526560.3125 114273.4297 568932.8125 980724.1875 111544.1563 647607.875 154911.4375 564101.125 281609.2188 179946.4844 499642.8125 1016378.563 119638.6406 871590.5625 188832.125 831857.25 600539.3125 84576.28906 464796.8438 120334.6797 156019.5313 316785.7813 506807.7813 146804.1719 174440.75 515972.0625 447577.3438 942203.625 642764.1875 679118.5625 201894.0156 907086.0625 869116.5625 777495.4375 150513.5781 N-Acetyl-D-glucosamine 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314589.875 197061.2656 179533.125 163999.9688 195637.2344 226412.2344 270374.75 309521.5625 252285.125 287067.375 220935.0938 216739.4844 324411.5938 305636.2188 353080.1875 324164.875 181291.2656 186670.9844 202357.6875 222328.8906 299480.8438 288939.7188 328940.3438 219445.3281 226138.4375 272703.7813 357204.7813 359414.5313 398110.5 154787.1719 248335.3906 169052.1094 207647.4844 269675.8125 313047.5 216673.1875 296983.25 335841.6875 314519.625 195053.625 183455.625 284666.5625 224250.125 290400.125 302880.1563 150715.6875 202428.1094 200174.3438 216658.4375 296772.2813 281023.9688 301576.7813 239359.7188 222962.7813 320676.2188 327768.25 273557.9375 330729.625 161999.9063 315997.25 204761.625 177969.1406 200322.1563 225473.6719 236795.6875 275339.875 201440.5938 280845.875 251605.3281 227154.6563 331047.0625 332734.7813 318673.6875 434047.625 156325.2656 321490.875 184237.9531 215772.1094 276260.8438 308950.375 203684.6406 319002.3438 365718.9063 336288.0625 189064.875 188246.9219 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217685.7969 164753.3438 90732.59375 147072.2031 165121.1094 172447.4063 85720.59375 167893.3594 202656.4375 177217.6094 270484.625 122663.0703 164193.6875 179760.7813 183148.6563 144938.2188 179724.6875 85507.46875 Proclavaminic acid 16369.64258 0 0 0 0 9150.506836 28211.82031 70031.71094 81146.45313 54771.85938 71691.76563 87423.94531 84047.53125 108730.2266 90413.50781 15836.30078 9001.526367 6475.15332 8954.616211 0 21236.92578 16606.5957 13161.18652 95583.88281 64545.19922 72001.45313 77233.4375 89506.78125 78714.13281 11652.72754 0 17278.10156 13840.91016 82663.3125 66580.73438 86256.5 86810.0625 15787.11719 9286.46582 9966.488281 28383.28906 40529.95313 45923.12109 73192.42188 15097.39746 7463.025391 10204.20605 0 0 8660.116211 13296.33398 63668.05078 86060.59375 52412.31641 75780.26563 83419.5 99107.52344 77045.34375 18129.48633 11363.03711 9104.389648 0 11040.44531 24433.12695 9209.006836 89859.75781 55389.77734 66881.52344 67988.28906 113190.7969 93768.02344 16371.57031 0 8733.466797 18878.29883 87984.21875 72507.39063 86697.83594 84124.09375 11717.30566 9239.417969 78422.53125 51323.67188 72257.28906 115420.1016 14032.11328 0 9867.802734 0 15979.22852 8037.892578 20051.9707 18842.92188 85197.4375 87274.03906 59136.23828 69708.4375 97553.33594 71897.71094 28904.2793 7687.856445 7367.98291 0 6406.115234 6817.983398 15749.23828 87808.28125 83537.45313 66485.84375 55691.42188 83035.63281 86293.52344 107627.4766 107144.1094 11625.81348 0 15109.0957 14737.33789 100209.4609 67202.07031 81885.65625 67350.13281 18228.7207 10760.28516 0 91810.92969 52874.98047 66233.65625 110294.8203 15665.64355 9553.860352 0 15775.56641 8131.064941 0 72874.46094 101855.7031 60654.85547 67369.50781 72590.49219 91740.07031 118174.7813 89831.02344 21181.37695 9841.366211 0 0 0 8092.380859 16069.01953 22011.1875 94083.82031 88274.79688 59878.20703 82755.5625 83343.17969 92439.25781 95468.32031 91337.07031 10621.74023 0 8248.725586 17133.14453 81091.46875 71306.99219 93154.92969 80087.67969 16981.51367 0 0 15088.48828 85032.25 63424.45703 87803.38281 99805.3125 2-Benzothiazolesulfonamide 0 0 0 71057.66406 0 48688.72266 25950.54883 82192.88281 140771.375 105772.0781 127628 0 90538.5 116022.1094 152586.2813 0 28897.79883 60035.36328 0 56621.42969 63484.26953 90158.67188 121346.875 0 139594.1719 209707.6406 120450.3516 130351.1016 191699.0156 29530.8418 66990.94531 34721.77734 0 133705.6719 208704.1406 92885.95313 176570.0938 0 0 0 0 75709.875 187518.6094 87330.15625 0 35448.25391 31588.44141 65638.89844 31416.61523 0 31742.86133 66854.85156 110833.2891 149868.8281 0 107497.1875 175062.0313 133474.8594 0 58145.39063 20600.83398 48704.74609 27686.76758 15182.94238 0 137885.6406 154168.8594 156786.0313 118459.1016 0 138621.7344 0 54192.97656 14171.10254 39453.35938 98580.73438 0 96719.125 150219.4219 51173.00391 29587.20703 96794.14063 145423.0469 67899.07813 152049.9688 0 20812.67773 0 75847.46094 63529.38281 44812.71484 0 26886.26953 0 110758.3359 179898.75 109428.5547 0 161017.3125 0 0 42536.37109 46499.59375 0 36318.59375 35283.83594 109885.5625 124546.5078 16791.07227 128296.9063 101307.4922 130272.7344 133532.2969 22554.23242 0 0 0 34610.00781 84538.375 13388.92578 133629.5938 173277.2188 0 38073.30469 0 104355.7188 119490.9922 107480.5156 78962.02344 0 30937.70313 69299.5625 27160.55273 65046.26172 0 101602.1172 13977.05176 134485.4688 127236.1328 91572.71875 109957.5781 13914.6084 137979.1719 0 28342.63672 32382.73828 0 33598.36719 24724.86523 55065.81641 43406.16797 108932.6953 118018.2734 94279.94531 0 107519.1172 99631.61719 186475.7656 158646.7969 29233.13281 0 47154.52344 27768.77344 60703.80078 153983.6875 122102.7188 79876.36719 0 62654.78125 0 0 116305.1406 106414.2109 98303.57031 162883.1094 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention time mass KEGG ID HMDBID Lmid InchiKEY Phenylpropanoate 4.86483499 150.068034 C05629 HMDB00764 XMIIGOLPHOKFCH-UHFFFAOYSA-N Carbamoyl phosphate 27.98989008 140.9828592 C00169 HMDB01096 FFQKYPRQEYGKAF-UHFFFAOYSA-N IDP-D-mannose 16.6570161 590.0659131 MDCWIRPAAZMRRI-HKYXEKDMSA-L Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate 6.968052637 204.0997704 C04586 UNVUFOXAXGOVFT-RNFRBKRXSA-N ITP 17.69839265 507.9789034 C00081 HMDB00189 HAEJPQIATWHALX-KQYNXXCUSA-N PE(12:0/18:4(6Z,9Z,12Z,15Z)) 5.158847128 655.4217206 LMGP02010369 RSYARUVIVSLYPS-JUISVHGMSA-N PG(40:5) 3.690328682 824.5565847 N-Acetyl-D-fucosamine 10.79535591 205.0949566 C15480 XOCCAGJZGBCJME-IANFNVNHSA-N Cichorine 5.034283325 193.0738998 C10581 ICZVDXDXJQCDOJ-UHFFFAOYSA-N Urate 12.40073381 168.0282867 C00366 HMDB00289 LEHOTFFKMJEONL-UHFFFAOYSA-N (S)-Dihydroorotate 10.91162814 158.0328133 C00337 HMDB00528 UFIVEPVSAGBUSI-REOHCLBHSA-N N-(tetradecanoyl)-sphing-4-enine-1-phosphate 4.431296153 589.4468564 LMSP02050013 2-deoxyglucose-6-phosphate 13.35684977 246.0504676 VVBOYOOUAHKCCJ-PBXRRBTRSA-N Ganglioside GM1 (d18:1/24:1(15Z)) 5.149195083 813.9779807 C04911 HMDB04859 LBZARWBJHQZHMC-FYWSBHPVSA-N Bile salt 5.14924184 408.2876637 C01558 BHQCQFFYRZLCQQ-UMZBRFQRSA-N Glu-Cys 11.15057411 250.0623497 NicotinamideN-oxide 12.46962116 138.0427898 HMDB02730 USSFUVKEHXDAPM-UHFFFAOYSA-N N-Acetylneuraminate 13.09432213 309.105948 C00270 HMDB00230 SQVRNKJHWKZAKO-LUWBGTNYSA-N PE(30:4) 7.45474892 655.4218759 LMGP02010369 RSYARUVIVSLYPS-JUISVHGMSA-N D-Galacturonate 14.29160642 194.042623 C00333 AEMOLEFTQBMNLQ-YMDCURPLSA-N [SP] Sphinganine-1-phosphate 5.154204742 381.2646458 C01120 HMDB01383 LMSP01050002 YHEDRJPUIRMZMP-ZWKOTPCHSA-N Glu-Glu 13.79393348 276.0961873 C01425 KOSRFJWDECSPRO-WDSKDSINSA-N D-Glucuronate 15.51171748 194.0426946 C00191 HMDB00127 AEMOLEFTQBMNLQ-AQKNRBDQSA-N PS(18:0) 4.272575785 525.3072321 LMGP03050006 ZPDQFUYPBVXUKS-YADHBBJMSA-N 3-O-(6'-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 4.946490252 878.7003705 LMST01031142 D-Mannose 14.70132011 180.0633441 C00159 HMDB00169 WQZGKKKJIJFFOK-QTVWNMPRSA-N Imidazole-4-acetaldehyde 12.19964437 110.0480813 C05130 HMDB03905 MQSRGWNVEZRLDK-UHFFFAOYSA-N 3-(4-Hydroxyphenyl)lactate 8.697232238 182.0579206 C03672 HMDB00755 JVGVDSSUAVXRDY-UHFFFAOYSA-N Orotate 9.97408237 156.0171594 C00295 HMDB00226 PXQPEWDEAKTCGB-UHFFFAOYSA-N N-Acetylanthranilate 8.129465438 179.0581671 C06332 QSACCXVHEVWNMX-UHFFFAOYSA-N beta-D-Sedoheptulopyranose 11.82323148 210.0740498 C08355 HAIWUXASLYEWLM-BNWJMWRWSA-N [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.902362585 512.3110926 LMGP04050009 HFJVKBVEKQHVTO-XZOQPEGZSA-N CMP-N-trimethyl-2-aminoethylphosphonate 14.20959566 472.112347 C05674 RNUGPSIGKYHQNQ-OJAKKHQRSA-O PE(31:4) 7.447051315 669.4366867 LMGP02010394 LJRKKSBIPGDNNM-FCDKFIKWSA-N 4-Amino-4-deoxychorismate 13.07539492 225.0637103 C11355 OIUJHGOLFKDBSU-HTQZYQBOSA-N Vicine 15.80000794 304.1018943 C08437 KGNGTSCIQCLKEH-SYCVNHKBSA-N Ganglioside GA1 (d18:1/24:1(15Z)) 7.44663039 668.4299007 C06136 HMDB04906 HVSCPOORNCFFOM-FLSKXLKNSA-N PG(34:1) 3.823273863 748.5251452 LMGP04010457 YIQBSYSBVXVBAC-JYMHUOGFSA-N P-DPD 12.46297669 212.0086337 DTZHMTDUIGHESZ-UHFFFAOYSA-L Indoxylsulfate 7.44922687 213.0095742 HMDB00682 BXFFHSIDQOFMLE-UHFFFAOYSA-N Arg-Phe-Phe-Arg 14.77367702 624.3496303 (S)-AMPA 14.12073387 186.064056 C13672 UUDAMDVQRQNNHZ-YFKPBYRVSA-N Glycylproline 14.05823656 172.0847325 HMDB00721 KZNQNBZMBZJQJO-UHFFFAOYSA-N GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 5.151543788 668.4297604 LMSP0502AB07 WSOCRZVLWFROQD-UKBYAVDWSA-N Chitobiose 19.96909392 424.16941 C01674 HMDB03556 CDOJPCSDOXYJJF-CBTAGEKQSA-N (R)-2-Hydroxyglutarate 14.90005236 148.0371938 C01087 HMDB00606 HWXBTNAVRSUOJR-GSVOUGTGSA-N PE(13:0/18:4(6Z,9Z,12Z,15Z)) 5.170686725 669.4361913 LMGP02010394 LJRKKSBIPGDNNM-FCDKFIKWSA-N Camptothecin 12.93151434 348.1104919 C01897 VSJKWCGYPAHWDS-FQEVSTJZSA-N [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 4.33292547 600.3272697 LMGP06050004 MXAFDFDAIFZFET-HULSJBAWSA-N Cyclic ADP-ribose 13.95535082 541.0602668 C13050 BQOHYSXSASDCEA-KEOHHSTQSA-N nicotinamide guanine dinucleotide 12.98724267 679.1041233 NCFRZZVNRVEQJK-OLRWKSFRSA-N (S)-1-Pyrroline-5-carboxylate 14.65366395 113.0477476 C03912 HMDB01301 DWAKNKKXGALPNW-BYPYZUCNSA-N Met-Met-Met 13.93361914 411.1312373 2-Hydroxyethanesulfonate 10.56552256 125.9987107 C05123 HMDB03903 SUMDYPCJJOFFON-UHFFFAOYSA-N PE(34:3) 4.03632002 713.4997178 LGHHSOARZMNIGJ-DFCPKGTFSA-N PA(34:1) 3.79446877 674.4885635 LMGP10010007 L-cysteine sulfinate 14.25282405 153.0094836 WVMUCBHSEHBMKA-UHFFFAOYSA-N sn-glycero-3-Phospho-1-inositol 15.86295295 334.0670361 C01225 HMDB11649 BMVUIWJCUQSHLZ-UJGXJMNGSA-N Hydroxymethylphosphonate 14.29010709 111.99261 C06455 GTTBQSNGUYHPNK-UHFFFAOYSA-N Asn-Leu-Lys-Trp 23.56846358 559.3113456 PG(36:1) 3.827444682 776.5555453 URDBSUCIYKJPCG-INSSKLQOSA-N glutathione-sulfite 18.86747252 387.040908 WVRBCFLALSFRAF-UHFFFAOYSA-L 5-Oxoproline 10.09709493 129.0426668 C01879 HMDB00267 ODHCTXKNWHHXJC-VKHMYHEASA-N HEPES 10.41563797 238.098544 JKMHFZQWWAIEOD-UHFFFAOYSA-N Asn-Met-Thr-Asp 10.8458385 479.1682984 MES 7.666167413 195.0564181 SXGZJKUKBWWHRA-UHFFFAOYSA-N Docosanoic acid 3.809999103 340.3340746 C08281 HMDB00944 LMFA01010022 UKMSUNONTOPOIO-UHFFFAOYSA-N Iminodiacetate 16.33059127 133.0375814 HMDB11753 NBZBKCUXIYYUSX-UHFFFAOYSA-N S-Adenosyl-L-methionine 16.31736959 398.1373168 C00019 HMDB01185 MEFKEPWMEQBLKI-AIRLBKTGSA-N D-Mannitol 1-phosphate 14.99406217 262.0453581 C00644 HMDB01530 GACTWZZMVMUKNG-UHFFFAOYSA-N 2,7-Anhydro-alpha-N-acetylneuraminic acid 12.97200233 291.0955326 C04521 NCMJSVDTRDLWJE-GSQQXRCOSA-N Clavulanic acid 7.3933763 199.0481306 C06662 HZZVJAQRINQKSD-PBFISZAISA-N PA(34:2) 3.788600332 672.4734841 LMGP10010023 Cys-Leu-Cys-Tyr 10.28113645 500.1768738 PI(38:5) 3.808399913 884.5417301 WMVAOBOFQHVKTL-VEAQMIGASA-N 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide 14.92188208 338.0633485 C04677 HMDB01517 NOTGFIUVDGNKRI-UUOKFMHZSA-N Quinate 12.50795416 192.0634487 C00296 HMDB03072 AAWZDTNXLSGCEK-WYWMIBKRSA-N D-Xylose 14.1500963 150.0528124 C00181 HMDB00098 SRBFZHDQGSBBOR-IOVATXLUSA-N 3-Phosphonopyruvate 12.61414698 167.9824156 C02798 CHDDAVCOAOFSLD-UHFFFAOYSA-N N-Acetyl-D-glucosamine 6-phosphate 14.60185419 301.0564971 C00357 HMDB01062 BRGMHAYQAZFZDJ-RTRLPJTCSA-N 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 12.29790994 291.0955742 C04580 JINJZWSZQKHCIP-IUSKBOIHSA-N N3-fumaramoyl-L-2,3-diaminopropanoate 15.41620516 202.0590195 FYPSRFSOOLJBNE-OWOJBTEDSA-M N-Succinyl-L-glutamate 13.89374544 247.0690939 C05931 JCNBNOQGFSXOML-YFKPBYRVSA-N alpha-Irone 4.180762238 206.1670725 C09690 JZQOJFLIJNRDHK-UZPJXDOOSA-N PI(36:2) 3.820549593 862.5561163 LALGUHSIWLNTNW-SHLWDWSJSA-N PG(36:2) 3.807142557 774.5410248 CZVJBYZXTBYGJR-XAODMQRJSA-N [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 12.35296572 136.0373011 C01620 HMDB00943 LMFA01050097 JPIJQSOTBSSVTP-UHFFFAOYSA-N UDP-N-acetyl-D-galactosamine 14.89195673 607.0816672 C00203 HMDB00304 LMSL01010002 LFTYTUAZOPRMMI-UHFFFAOYSA-N N-Acetyl-beta-D-glucosaminylamine 13.01659201 220.1058645 C01239 HMDB01104 MCGXOCXFFNKASF-FMDGEEDCSA-N D-Erythrose 14.51295821 120.0423089 C01796 HMDB02649 FMAORJIQYMIRHF-HERZVMAMSA-N Phosphonoacetaldehyde 14.78303807 123.992653 C03167 YEMKIGUKNDOZEG-UHFFFAOYSA-N 2-Oxoglutarate 15.32673363 146.0216015 C00026 HMDB00208 KPGXRSRHYNQIFN-UHFFFAOYSA-N PG(36:3) 3.681036555 772.5253345 AQIAGGRCCDLKEY-MUJLYBRFSA-N PA(36:1) 3.787456027 702.5196798 LMGP10010037 QWNJKTNPNHAYRH-CAPKZEEOSA-N Tetracosanoic acid 3.797675753 368.3656083 C08320 HMDB02003 LMFA01010024 QZZGJDVWLFXDLK-UHFFFAOYSA-N N,N-Dihydroxy-L-tyrosine 12.72444334 213.0640541 C15503 QPHSFUGCBGILSS-QMMMGPOBSA-N Pyridoxine phosphate 13.57797923 249.0403374 C00627 HMDB01319 WHOMFKWHIQZTHY-UHFFFAOYSA-N PS(38:4) 3.79327941 811.5369267 IULWELDCBXQXED-DWOSIAKHSA-N Erythronicacid 16.22982429 136.0372993 HMDB00613 JPIJQSOTBSSVTP-PWNYCUMCSA-N GDP-mannose 17.97393138 605.0773206 C00096 HMDB01163 MVMSCBBUIHUTGJ-GDJBGNAASA-N IMP 15.22675294 348.0471244 C00130 HMDB00175 GRSZFWQUAKGDAV-KQYNXXCUSA-N Miroestrol 14.42385984 358.1411653 C08831 RJKLDOLOCIQYFS-PRTISISMSA-N A-Ketoglutaricacidoxime 8.005629995 161.0324461 HMDB02467 RSXBEVMDACDZRB-ZZXKWVIFSA-N CMP-2-aminoethylphosphonate 15.08972262 430.0652988 C05673 FBADRUOBFLBKJQ-PEBGCTIMSA-N (S)-Malate 15.7884226 134.0215929 C00149 HMDB00156 BJEPYKJPYRNKOW-REOHCLBHSA-N beta-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 21.81049913 272.0297406 2-amino-2-deoxy-isochorismate 11.69973171 225.063665 OKLGKGPAZUNROU-JAMMHHFISA-M Bergaptol 14.93770106 202.0263585 C00758 GIJHDGJRTUSBJR-UHFFFAOYSA-N L-Fuculose 1-phosphate 15.22796767 244.0348885 C01099 KNYGWWDTPGSEPD-LFRDXLMFSA-N 2(alpha-D-Mannosyl)-D-glycerate 14.67799764 268.0795455 C11544 DDXCFDOPXBPUJC-SAYMMRJXSA-N (-)-Menthyl O-beta-D-glucoside 4.718137977 318.2044108 C03962 LMPR0102090060 GZSDZJZIZBGBON-NZZARTGWSA-N 2,3,4,5-Tetrahydrodipicolinate 7.44554119 171.0531756 C03972 HMDB12289 CXMBCXQHOXUCEO-BYPYZUCNSA-N N-Acetyl-D-glucosaminate 12.25680125 237.0849595 C01133 LZKNVSNNPRQZJB-UHFFFAOYSA-N D-myo-Inositol 1,2-cyclic phosphate 17.2896056 242.0191808 C04299 HMDB01125 SXHMVNXROAUURW-FTYOSCRSSA-N PS(40:5) 3.78326659 837.5506049 PS(38:6) 3.797062695 807.5055783 PWBBJQOVCTWPIM-FAYDGCQZSA-N D-Gluconic acid 13.32726317 196.0582388 C00257 HMDB00625 RGHNJXZEOKUKBD-SQOUGZDYSA-N PS(36:1) 3.815494363 789.5521683 AJFWREUFUPEYII-PAHWMLEVSA-N D-Glucose 6-phosphate 16.55032596 260.0296977 C00092 HMDB01401 NBSCHQHZLSJFNQ-GASJEMHNSA-N 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose 17.18941287 869.3022498 C04923 JMTBNWRTXSLTIC-CDJUDSBSSA-N PI(36:1) 3.82577958 864.5715646 PONHAMBNZIFEKT-HLQOLDBXSA-N 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 13.71859844 192.0634451 C01295 VKPFEZAOAAZDPP-QCNSFQOVSA-N Glutathione 14.0340979 307.0835928 C00051 HMDB00125 RWSXRVCMGQZWBV-WDSKDSINSA-N D-Glycerate 11.67713123 106.0266393 C00258 HMDB00139 RBNPOMFGQQGHHO-UWTATZPHSA-N D-Ribose 11.7878832 150.052886 C00121 HMDB00283 HMFHBZSHGGEWLO-SOOFDHNKSA-N Stealthin C 15.21083537 307.0840327 C12392 BNUJIESPRPGZOC-UHFFFAOYSA-N PI(38:4) 3.807760627 886.5565782 KRTOMQDUKGRFDJ-MWZLTEOLSA-N CDP-ethanolamine 16.10637604 446.0604544 C00570 HMDB01564 WVIMUEUQJFPNDK-PEBGCTIMSA-N sn-glycero-3-Phosphoethanolamine 15.46748438 215.0559625 C01233 HMDB00114 JZNWSCPGTDBMEW-RXMQYKEDSA-N PG(36:5) 3.690732122 768.495139 PMMMXQLSRSKYJN-MIIJJXBYSA-N Folate 16.47840145 441.1399849 C00504 HMDB00121 OVBPIULPVIDEAO-LBPRGKRZSA-N Succinate semialdehyde 13.42748385 102.0316723 C00232 HMDB01259 LMFA06000118 UIUJIQZEACWQSV-UHFFFAOYSA-N UDP-glucose 16.11394763 566.054978 C00029 HMDB00286 HSCJRCZFDFQWRP-JZMIEXBBSA-N 3-beta-D-Galactosyl-sn-glycerol 13.62381745 254.1002377 C05401 HMDB06790 NHJUPBDCSOGIKX-NTXXKDEISA-N N,N'-Dimethylurea 14.12854095 88.06366265 C16364 MGJKQDOBUOMPEZ-UHFFFAOYSA-N Orotidine 12.12407994 288.0595662 HMDB00788 FKCRAVPPBFWEJD-XVFCMESISA-N (S)-Lactate 9.450691435 90.03156905 C00186 HMDB00190 JVTAAEKCZFNVCJ-REOHCLBHSA-N deacetylcolchicine 14.90935317 357.1572756 C16712 HFPMXDMZJUJZBX-AWEZNQCLSA-N DL-2-Aminooctanoicacid 11.00025704 159.1259892 HMDB00991 LMFA01100056 AKVBCGQVQXPRLD-UHFFFAOYSA-N Trimethylaminoacetone 11.75426967 115.0998064 HMDB12296 LFWNPKYGVKNNAB-UHFFFAOYSA-N PI(36:4) 3.816614137 858.5261828 QQQIZZJWFPGZFU-XZJTVJSISA-N N-Hydroxy-L-tyrosine 10.24188675 197.0688852 C03004 CNIUEVQJABPUIJ-QMMMGPOBSA-N O-Succinyl-L-homoserine 13.66101056 219.0742151 C01118 GNISQJGXJIDKDJ-YFKPBYRVSA-N PS(34:1) 3.824420728 761.5217499 QRWCPZZFGKGUHF-FQGNUJBYSA-N 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 19.92321125 217.0585779 C04690 BHXUWJPOOLFBAP-DJWKRKHSSA-N D-Glucono-1,5-lactone 11.92076408 178.0477589 C00198 HMDB00150 PHOQVHQSTUBQQK-SQOUGZDYSA-N [SP] Sphing-4-enine-1-phosphate 5.166987908 379.2489677 C06124 HMDB00277 LMSP01050001 DUYSYHSSBDVJSM-KRWOKUGFSA-N Ala-Thr-Ala-Gly 17.69715072 318.1538288 PS(36:2) 3.811701207 787.5367949 AGTPCXBHIGMTEU-NREGDSCDSA-N N5-formyl-N5-hydroxy-L-ornithine 11.71378746 176.0796049 GDP-L-fucose 17.33665688 589.0824683 C00325 HMDB01095 LQEBEXMHBLQMDB-JGQUBWHWSA-N PE(36:1) 4.001002332 745.561326 LICSIKXBSOVGBP-VEAYGOGPSA-N LPA(18:0) 4.74111732 438.2740243 C00416 HMDB07850 LMGP10050043 RPAOEHFOGLEBTJ-HXUWFJFHSA-N hexane-6-ol-1,3,4,6-tetracarboxylate 22.55102857 278.064215 DFXLVZGBDKPTEZ-UHFFFAOYSA-J L-Aspartate 14.74046682 133.0375388 C00049 HMDB00191 CKLJMWTZIZZHCS-REOHCLBHSA-N D-Glucose 12.73122539 180.0633679 C00221 HMDB00122 WQZGKKKJIJFFOK-GASJEMHNSA-N Asp-Gly-Pro-Ser 13.78798462 374.1434706 UDP-glucuronate 18.84965192 580.0343936 C00167 HMDB00935 HDYANYHVCAPMJV-LXQIFKJMSA-N PS(39:4) 3.78449951 825.5526093 LMGP03010247 HKVBMGDYFMSDES-JEJCSLMQSA-N Citrate 17.90929255 192.0270034 C00158 HMDB00094 KRKNYBCHXYNGOX-UHFFFAOYSA-N Arg-Lys-Asn-Gln 23.57913532 544.3085145 (S)-Carnitine 10.98279579 161.1052472 C15025 PHIQHXFUZVPYII-LURJTMIESA-N PIPES 14.16869839 151.0303234 IHPYMWDTONKSCO-UHFFFAOYSA-N 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 15.86976842 326.1215642 C08244 VSRVRBXGIRFARR-OUEGHFHCSA-N Cholesterolsulfate 3.70556605 466.3118576 HMDB00653 LMST05020016 BHYOQNUELFTYRT-DPAQBDIFSA-N Aspartyl-L-proline 15.24746685 230.0902612 HMDB02335 UKGGPJNBONZZCM-WDSKDSINSA-N D-Fructose 16.86031303 180.0634304 C00095 HMDB00660 RFSUNEUAIZKAJO-VRPWFDPXSA-N oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1,4-glucose 14.70630697 630.1908321 DYFLXRJSODBNCV-BCHAYAEHSA-L Glyoxylate 16.78378723 106.0266451 C00048 HMDB00119 HHLFWLYXYJOTON-UHFFFAOYSA-N Xylobiose 13.56208763 282.0953234 C01630 LGQKSQQRKHFMLI-WSNPFVOISA-N 3-ureidoacrylate 12.03369044 112.0272246 Sinalbin 14.45969194 424.0372276 C08426 WWBNBPSEKLOHJU-LPUQOGTASA-N D-Glucarate 16.82854692 210.0376049 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-L Fagomine 13.08241119 147.0896039 C10144 YZNNBIPIQWYLDM-HSUXUTPPSA-N Glucosylgalactosylhydroxylysine 21.73118185 486.2062087 HMDB00585 UTIRJVJBKWSIOX-SRMFCGEKSA-N phe-FMDP 11.63922397 363.1433849 nonulose 9-phosphate 16.57862806 350.0616362 D-Ribose 5-phosphate 15.39532037 230.0191647 C00117 HMDB01548 KTVPXOYAKDPRHY-SOOFDHNKSA-N Chloraminophenamide 7.47729609 284.9645902 C07460 IHJCXVZDYSXXFT-UHFFFAOYSA-N N,N-Dimethylglycine 14.34353133 103.0633067 C01026 HMDB00092 FFDGPVCHZBVARC-UHFFFAOYSA-N cis-Aconitate 17.66769568 174.0163443 C00417 HMDB00072 GTZCVFVGUGFEME-IWQZZHSRSA-N PA(36:4) 3.765539627 696.4732878 LMGP10010957 Bis-D-fructose 2',1:2,1'-dianhydride 14.55958584 324.1058878 C04333 DKOQIDXJOZQKIG-IYDDCBTQSA-N 2-Carboxy-D-arabinitol 1-phosphate 16.89933252 276.0249184 C04234 UJTMIRNFEXKGMS-UHFFFAOYSA-N sn-Glycerol 3-phosphate 14.71039716 172.0135991 C00093 HMDB00126 AWUCVROLDVIAJX-GSVOUGTGSA-N (3S,5S)-carbapenam 11.58082909 155.0582335 RJPDELAUUYAFTQ-WHFBIAKZSA-M Orotate(Fragment) 15.09033351 112.0273472 C00295 HMDB00226 PXQPEWDEAKTCGB-UHFFFAOYSA-N D-4'-Phosphopantothenate 14.93707203 299.0769779 C03492 HMDB01016 XHFVGHPGDLDEQO-ZETCQYMHSA-N N-Glycolyl-D-glucosamine 12.87127822 237.0849266 C03146 KSWRTSFNOKOHBE-PNAXYBNRSA-N PA(36:2) 3.779314283 700.5038073 C00416 HMDB07865 LMGP10010962 MHUWZNTUIIFHAS-DSSVUWSHSA-N PE(34:1) 4.024408617 717.5311207 DVXMEPWDARXHCX-OTMQOFQLSA-N melibionate 14.96793184 358.1113401 MUUBPEHTAPZMCA-RQPDCMAESA-M D-Arabinonate 13.32930145 166.0477168 C00878 QXKAIJAYHKCRRA-JJYYJPOSSA-M [FA] Methyl jasmonate 4.327844852 224.1413067 C11512 LMFA02020010 GEWDNTWNSAZUDX-WQMVXFAESA-N Pyruvate 14.52487746 88.01588089 C00022 HMDB00243 LMFA01060077 LCTONWCANYUPML-UHFFFAOYSA-N PS(38:5) 3.795047752 809.5213724 MGPMTJBAWDIKQN-GIVBSXOZSA-N Ala-Asp 15.90786231 204.0745854 XAEWTDMGFGHWFK-IMJSIDKUSA-N N-Acetyl-L-glutamate 13.85261124 189.0638907 C00624 HMDB01138 RFMMMVDNIPUKGG-YFKPBYRVSA-N Chenodeoxyglycocholate 4.87592309 449.3146052 C05462 HMDB06898 LMST05030003 GHCZAUBVMUEKKP-AFQLCFGXSA-N Ala-Ala-Asp-Tyr 11.23860778 438.1752055 N-(2,3-Dihydroxybenzoyl)-L-serine 19.91593015 241.0585729 C04204 VDTYHTVHFIIEIL-LURJTMIESA-N 6-Methylpretetramide 11.3744225 365.0897919 C06629 WBDQDVXPSGTJAV-UHFFFAOYSA-N Mannitol 13.83016567 182.0790117 C00392 HMDB00765 FBPFZTCFMRRESA-UHFFFAOYSA-N Ovothiol disulfide 15.64774519 456.1613977 Phenolsulfonphthalein 5.186870783 354.0563567 C12600 BELBBZDIHDAJOR-UHFFFAOYSA-N UDP 15.94557772 404.0028295 C00015 HMDB00295 XCCTYIAWTASOJW-XVFCMESISA-N 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 8.131305402 380.1627908 C15050 MYPFOICOYSUJOZ-UHFFFAOYSA-N [FA hydroxy(18:0)] 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid 4.346843572 346.2352406 LMFA01040012 XKOSMZYONOMNMT-BUHFOSPRSA-N Hydantoin-5-propionate 15.21922807 172.0484078 C05565 HMDB01212 VWFWNXQAMGDPGG-UHFFFAOYSA-N 2-C-Methyl-D-erythritol 4-phosphate 13.12233196 216.0402265 C11434 XMWHRVNVKDKBRG-UHNVWZDZSA-N Monomethyl sulfate 12.74981397 111.9831238 C02704 JZMJDSHXVKJFKW-UHFFFAOYSA-N (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 14.12687463 198.0638591 C04771 WZNJWVWKTVETCG-YFKPBYRVSA-N D-Glucose 1-phosphate 15.06431526 260.029637 C00103 HMDB01586 HXXFSFRBOHSIMQ-VFUOTHLCSA-N Apodine 14.62474519 366.1573502 C09034 SXLKMYFJLWDXFU-ZEWNOJEFSA-N L-Erythrulose 10.47957644 120.0423211 C02045 HMDB06293 UQPHVQVXLPRNCX-UHFFFAOYSA-N FA methyl(18:0) 3.849920365 298.2868508 HMDB04085 LMFA01020015 BEOUGZFCUMNGOU-UHFFFAOYSA-N 4-Nitroaniline 13.42985056 138.0428956 C02126 TYMLOMAKGOJONV-UHFFFAOYSA-N Hydroxypyruvate 14.83192997 104.0109598 C00168 HMDB01352 HHDDCCUIIUWNGJ-UHFFFAOYSA-N PA(36:3) 3.778578103 698.4886902 LMGP10010134 URUVXHGRYHVJHP-RGWCGLOOSA-N Asp-Val-Pro-Ser 9.962649855 416.1908226 Perseitol 14.52690341 212.0895901 C08255 OXQKEKGBFMQTML-BIVRFLNRSA-N 6-Phospho-D-gluconate 17.49184057 276.0248454 C00345 HMDB01316 BIRSGZKFKXLSJQ-SQOUGZDYSA-N N-Acetylornithine 13.40065223 174.1004655 C00437 HMDB03357 JRLGPAXAGHMNOL-LURJTMIESA-N N-Benzyloxycarbonylglycine 5.175446605 209.0688122 C03710 CJUMAFVKTCBCJK-UHFFFAOYSA-N D-Sedoheptulose 7-phosphate 15.94682843 290.0404526 C05382 JDTUMPKOJBQPKX-UHFFFAOYSA-N 1,4-Lactone 14.02335372 86.03663228 C01770 HMDB00549 LMFA07040004 YEJRWHAVMIAJKC-UHFFFAOYSA-N Taurine 14.73873606 125.0146895 C00245 HMDB00251 XOAAWQZATWQOTB-UHFFFAOYSA-N FA (17:0) 3.885237338 270.2559247 HMDB02259 LMFA01010017 KEMQGTRYUADPNZ-UHFFFAOYSA-N Cys-Gly-Pro-Ser 14.70856296 362.1262576 [FA (23:0)] tricosanoic acid 3.80511942 354.3501057 HMDB01160 LMFA01010023 XEZVDURJDFGERA-UHFFFAOYSA-N Phosphodimethylethanolamine 14.87883895 169.0501457 C13482 BLHVJAAEHMLMOI-UHFFFAOYSA-N 3-Dehydroquinate 10.71027055 190.0477187 C00944 HMDB12710 WVMWZWGZRAXUBK-SYTVJDICSA-N 5-Valerolactone 4.698571545 100.0523908 C02240 OZJPLYNZGCXSJM-UHFFFAOYSA-N 3-Phospho-D-glycerate 16.73710893 185.9928937 C00197 HMDB00807 OSJPPGNTCRNQQC-UWTATZPHSA-N Ala-Cys-Pro-Ser 14.56997431 376.1417272 PI(32:1) 3.809068923 808.5106149 RNXWIPLNUTUDRT-YHSIYXGOSA-N Sedoheptulose 13.70399721 210.0740269 C02076 HMDB03219 HAIWUXASLYEWLM-QTSLKERKSA-N D-Fructose 1,6-bisphosphate 17.80341417 339.9959782 C00354 HMDB01058 RNBGYGVWRKECFJ-VRPWFDPXSA-N ATP 16.17172946 506.9955825 C00002 HMDB00538 ZKHQWZAMYRWXGA-KQYNXXCUSA-N PG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.449407822 814.4797238 LMGP04010455 BMKGVIWEXORLPR-NHCONJQASA-N [PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 4.864468897 410.2430239 C00416 HMDB07853 LMGP10050006 YNDYKPRNFWPPFU-GOSISDBHSA-N Asp-Gly 16.13859641 190.0589363 JHFNSBBHKSZXKB-VKHMYHEASA-N PE(36:4) 4.002105402 739.5154895 KUPNWZACJRZMJD-SIOSMUJOSA-N PS(36:3) 3.815643107 785.5202704 MWONMGIZXLAUBR-KSXMTAOISA-M PS(40:8) 3.783524968 831.5062573 PE(38:4) 3.981934055 767.5457134 C00350 HMDB09003 LMGP02010027 ANRKEHNWXKCXDB-BHFWLYLHSA-N FA (20:0) 3.82997776 312.3031418 C06425 HMDB02212 LMFA01010020 VKOBVWXKNCXXDE-UHFFFAOYSA-N PIP(38:4) 7.451777045 483.2617797 C00626 HMDB09922 OXBDQZJHLRKLND-COINVZCISA-N Thr-Gly 13.05573645 176.0795709 BIYXEUAFGLTAEM-UCORVYFPSA-N PE(34:2) 4.030236153 715.5154342 LMGP02020005 FENSRZKRANTRCP-UHFFFAOYSA-N 3-(ADP)-glycerate 16.35476557 515.0452025 C02509 APVQTUURIRQYIT-NRJACJQQSA-N D-Mannose 1-phosphate 17.75805505 260.0297664 C00636 HMDB06330 HXXFSFRBOHSIMQ-RWOPYEJCSA-N [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 3.974066908 537.5115181 C00195 HMDB04949 LMSP02010004 YDNKGFDKKRUKPY-TURZORIXSA-N (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 12.83910286 190.0841113 C04546 RILHUWWTCSDPAN-PHDIDXHHSA-N PE(36:3) 4.003970813 741.5300323 FRZXKSQGAKPAPK-XKDWLADFSA-N Ala-Gly-Ser 12.79106831 233.1010984 Thiourocanic acid 14.66141817 170.0149746 C05571 ZBKFFCZXHBPGFK-OWOJBTEDSA-N N-Acetyl-D-glucosamine 1,6-bisphosphate 16.75016667 381.0228185 C04461 WBYIPZVSBSKNQR-FMDGEEDCSA-N PS(36:4) 3.808850488 783.5057173 ZTNFQEXYTMNFHG-SOFXVBFTSA-N (R,R)-Tartaric acid 17.0467003 150.0164751 C00898 HMDB00956 FEWJPZIEWOKRBE-UHFFFAOYSA-N Indoleacrylicacid 8.74319863 187.063321 HMDB00734 SXOUIMVOMIGLHO-AATRIKPKSA-N Glu-Gly 14.66318207 204.0745018 IEFJWDNGDZAYNZ-UHFFFAOYSA-M octulose 8-phosphate 16.2716193 320.0509803 PE(40:5) 3.974312335 793.5611246 JNMLRFRSKRFHKL-QPBWJCTOSA-N dGDP 16.17385192 427.029551 C00361 HMDB00960 CIKGWCTVFSRMJU-KVQBGUIXSA-N S-Methyl-5-thio-D-ribose 1-phosphate 12.81824606 260.0120698 C04188 HMDB00963 JTFITTQBRJDSTL-KVTDHHQDSA-N [FA (16:4)] hexadecatetraenoic acid 4.1711462 248.1775854 LMFA01030163 IVTCJQZAGWTMBZ-GFRMADBLSA-N Psychosine 4.76048029 461.3355637 C01747 HMDB00648 LMSP07000001 HHJTWTPUPVQKNA-PIIMIWFASA-N UTP 17.56208705 483.9685809 C00075 HMDB00285 PGAVKCOVUIYSFO-XVFCMESISA-N D-Sedoheptulose 1,7-bisphosphate 18.08788318 370.006776 C00447 OKHXOUGRECCASI-UHFFFAOYSA-N PE(38:5) 3.985416748 765.5302254 Ala-Lys-Ala-Ala 13.83733447 359.2169816 AMP 14.86589865 347.063129 C00020 HMDB00045 UDMBCSSLTHHNCD-KQYNXXCUSA-N [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 3.84303657 330.2565368 C16513 HMDB06528 LMFA04000044 YUFFSWGQGVEMMI-JLNKQSITSA-N Orthophosphate 15.69410245 97.97681992 C00009 HMDB02142 NBIIXXVUZAFLBC-UHFFFAOYSA-N CoA 5.16044196 255.7052651 C00010 HMDB01423 RGJOEKWQDUBAIZ-DRCCLKDXSA-N Heptopyranosides 5.145871247 292.1525853 C02413 GWNOOUALMJFRLY-ZMHPAJMFSA-N Chelilutine 11.38866374 377.1259415 C12229 LZJHNXHYKRKCDZ-UHFFFAOYSA-N (2R,4S)-2,4-Diaminopentanoate 15.74624826 132.0899296 C03943 PCEJMSIIDXUDSN-IUYQGCFVSA-N Asn-Asn-Gly-His 14.65740272 440.1766387 [FA oxo(8:1)] 5-oxo-7-octenoic acid 4.661611087 156.0786935 LMFA01060165 HWLHBDCASWFKNP-UHFFFAOYSA-N PE(36:2) 4.00168334 743.5464991 C00350 HMDB09026 LMGP02010034 VHHMKXOBDPAFKC-HWQBUQMOSA-N 3-phosphoglucarate 18.9969255 290.0041535 FJYQVOPLAANXAB-UHFFFAOYSA-J L-Arabinose 12.25922332 150.0528835 C00259 HMDB00646 SRBFZHDQGSBBOR-HWQSCIPKSA-N PE(38:6) 3.981317548 763.5149257 beta-D-Fructose 2,6-bisphosphate 15.35010119 339.9960325 C00665 HMDB01047 YXWOAJXNVLXPMU-ZXXMMSQZSA-N D-Mannose 6-phosphate 15.74963867 260.0296617 C00275 HMDB01078 NBSCHQHZLSJFNQ-QTVWNMPRSA-N 2-Amino-9,10-epoxy-8-oxodecanoic acid 12.77329168 215.1157409 C12027 LMFA01060176 PFDHVDFPTKSEKN-JAVCKPHESA-N Asn-Cys-Cys 14.41457858 338.0719868 Octadecanoic acid 3.862901218 284.2715185 C01530 HMDB00827 LMFA01010018 QIQXTHQIDYTFRH-UHFFFAOYSA-N Icosatrienoic acid 3.864977377 306.2562864 C16522 LMFA01030378 AHANXAKGNAKFSK-PDBXOOCHSA-N H2S2O3 21.27569312 113.9446753 C05529 DHCDFWKWKRSZHF-UHFFFAOYSA-N [6]-Paradol 3.974910377 278.1883364 C10482 CZNLTCTYLMYLHL-UHFFFAOYSA-N [FA (18:1)] 9Z-octadecenoic acid 3.874698003 282.2560176 C00712 HMDB00207 LMFA01030002 ZQPPMHVWECSIRJ-KTKRTIGZSA-N Cys-Phe-Gly-Gly 10.70086643 382.1312349 D-Ribose 1,5-bisphosphate 17.55992453 309.9857592 C01151 HMDB11688 AAAFZMYJJHWUPN-TXICZTDVSA-N 5'-Dehydroadenosine 10.14032708 265.0809047 C11500 CWNMDMYGRVHXDR-KQYNXXCUSA-N Ala-Phe-Tyr-Tyr 14.51693887 562.2432132 Hexadecanoic acid 3.905914953 256.2401682 C00249 HMDB00220 LMFA01010001 IPCSVZSSVZVIGE-UHFFFAOYSA-N PE(18:1) 4.751963065 479.3020103 HMDB11506 LMGP02050004 PYVRVRFVLRNJLY-MZMPXXGTSA-N 5-Hydroxytryptophan 9.956378975 220.085035 C01017 LDCYZAJDBXYCGN-UHFFFAOYSA-N FA (20:4) 3.888428517 304.2406091 C00219 HMDB01043 LMFA01030001 YZXBAPSDXZZRGB-DOFZRALJSA-N FA methyl(16:1) 3.922234342 268.2404791 LMFA01020203 DINXWFVSXJCVPK-JQIJEIRASA-N Pro-His 12.12252574 252.1219485 3-Deoxy-D-manno-octulosonate 8-phosphate 15.0445159 318.0352904 C04478 RTNBXJBOAIDPME-SHUUEZRQSA-N N-Heptanoylhomoserine lactone 4.439393708 213.1363668 C11844 LMFA08030006 FTMZLSDESAOPSZ-VIFPVBQESA-N Glycerone phosphate 15.13806999 169.9980053 C00111 HMDB01473 GNGACRATGGDKBX-UHFFFAOYSA-N dTTP 15.7572902 481.9892162 C00459 HMDB01342 NHVNXKFIZYSCEB-XLPZGREQSA-N LysoPE(22:5) 4.566842613 527.3011531 HMDB11494 ZMHRXVSSWJALGN-GOGKNFEWSA-N LysoPE(22:4) 4.54384125 529.3168992 HMDB11523 LMGP02050014 NJHKGJJIKOCCMZ-YMIVKDKMSA-N Norepinephrinesulfate 18.71994443 249.030709 HMDB02062 CVJMZWLHUCMEKO-ZETCQYMHSA-N vanillylamine 7.41068341 153.0789959 C16666 HMDB12309 WRPWWVNUCXQDQV-UHFFFAOYSA-N Kinobscurinone 12.18463427 306.0522367 C12391 KESQQXMHWJFEFV-UHFFFAOYSA-N [FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 3.892185708 278.2248842 C06427 HMDB01388 LMFA01030152 DTOSIQBPPRVQHS-PDBXOOCHSA-N 3-Phospho-D-glyceroyl phosphate 17.88566087 265.9591489 C00236 HMDB01270 LJQLQCAXBUHEAZ-UWTATZPHSA-N Glepidotin B 10.08179068 340.1304517 C09753 ATJOIGKHVRPLSM-RBUKOAKNSA-N Ala-Asp-Gly 17.06061577 261.0961516 sodium dodecyl sulfate 3.733855082 266.1551508 MOTZDAYCYVMXPC-UHFFFAOYSA-M 2-Phospho-D-glycerate 17.83870747 185.9928657 C00631 HMDB03391 GXIURPTVHJPJLF-UWTATZPHSA-N [FA (20:1)] 11Z-eicosenoic acid 3.84177318 310.2873023 C16526 HMDB02231 LMFA01030085 BITHHVVYSMSWAG-KTKRTIGZSA-N Proclavaminic acid 9.802543857 202.0953196 C06658 NMCINKPVAOXDJH-VDTYLAMSSA-N 2-Benzothiazolesulfonamide 10.04774858 213.9867132 C14181 SDYMYAFSQACTQP-UHFFFAOYSA-N METABOLITES_END #END