#METABOLOMICS WORKBENCH kpaglia_20211209_132801_mwtab.txt DATATRACK_ID:2974 STUDY_ID:ST002012 ANALYSIS_ID:AN003286 PROJECT_ID:PR001276 VERSION 1 CREATED_ON December 16, 2021, 8:20 am #PROJECT PR:PROJECT_TITLE Untargeted primary metabolite profiling in Arabidopsis thaliana PR:PROJECT_SUMMARY The goal of this project is to compare the primary metabolite profile in PR:PROJECT_SUMMARY different tissue types of the model plant Arabidopsis thaliana. Specifically, PR:PROJECT_SUMMARY plants were grown hydroponically under the long-day (16hr light/day) condition PR:PROJECT_SUMMARY at 21C. Tissue samples, including leaves, inflorescences, and roots were harvest PR:PROJECT_SUMMARY 4 1/2 weeks post sowing. Untargeted primary metabolites profiling was carried PR:PROJECT_SUMMARY out using GCTOF. PR:INSTITUTE Salk Institute for Biological Studies PR:DEPARTMENT PBIO PR:LABORATORY Joanne Chory PR:LAST_NAME Wu PR:FIRST_NAME Xuelin PR:ADDRESS Salk Institute for Biological Studies PR:EMAIL xwu@salk.edu PR:PHONE +1-410-558-8510 PR:FUNDING_SOURCE HHMI, TED Audacious Project #STUDY ST:STUDY_TITLE Untargeted primary metabolite profiling in Arabidopsis thaliana ST:STUDY_SUMMARY The goal of this project is to compare the primary metabolite profile in ST:STUDY_SUMMARY different tissue types of the model plant Arabidopsis thaliana. Specifically, ST:STUDY_SUMMARY plants were grown hydroponically under the long-day (16hr light/day) condition ST:STUDY_SUMMARY at 21C. Tissue samples, including leaves, inflorescences, and roots were harvest ST:STUDY_SUMMARY 4 1/2 weeks post sowing. Untargeted primary metabolites profiling was carried ST:STUDY_SUMMARY out using GCTOF. ST:INSTITUTE Salk Institute for Biological Studies ST:DEPARTMENT PBIO ST:LABORATORY Joanne Chory ST:LAST_NAME Wu ST:FIRST_NAME Xuelin ST:ADDRESS Salk Institute for Biological Studies ST:EMAIL xwu@salk.edu ST:PHONE 858-453-4100, x1128 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Arabidopsis thaliana SU:TAXONOMY_ID 3702 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS A. thaliana 10_010 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa01_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 11_011 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa02_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 12_012 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa03_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 25_025 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa04_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 26_026 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa05_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 27_027 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa06_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 28_028 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa07_4.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 29_029 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa08_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 30_030 organ:inflourescences | genotype:18-4_F RAW_FILE_NAME=210707cEMsa09_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 43_043 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa10_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 44_044 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa11_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 45_045 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa12_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 46_046 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa13_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 47_047 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa14_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 48_048 organ:inflourescences | genotype:290_F RAW_FILE_NAME=210707cEMsa15_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 61_061 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa16_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 62_062 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa17_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 63_063 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa18_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 64_064 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa19_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 65_065 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa20_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 66_066 organ:inflourescences | genotype:Col-0_F RAW_FILE_NAME=210707cEMsa21_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 7_007 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa22_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 8_008 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa23_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 9_009 organ:inflourescences | genotype:12-6_F RAW_FILE_NAME=210707cEMsa24_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 13_013 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa25_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 14_014 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa26_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 15_015 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa27_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 16_016 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa28_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 17_017 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa29_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 18_018 organ:leaves | genotype:12-6_L RAW_FILE_NAME=210707cEMsa30_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 31_031 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa31_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 32_032 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa32_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 33_033 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa33_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 34_034 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa34_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 35_035 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa35_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 36_036 organ:leaves | genotype:18-4_L RAW_FILE_NAME=210707cEMsa36_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 49_049 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa37_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 50_050 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa38_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 51_051 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa39_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 52_052 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa40_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 53_053 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa41_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 54_054 organ:leaves | genotype:290_L RAW_FILE_NAME=210707cEMsa42_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 67_067 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa43_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 68_068 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa44_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 69_069 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa45_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 70_070 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa46_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 71_071 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa47_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 72_072 organ:leaves | genotype:Col-0_L RAW_FILE_NAME=210707cEMsa48_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 1_001 organ:roots | genotype:12-6_R RAW_FILE_NAME=210707cEMsa49_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 19_019 organ:roots | genotype:18-4_R RAW_FILE_NAME=210707cEMsa50_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 2_002 organ:roots | genotype:12-6_R RAW_FILE_NAME=210708cEMsa01_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 20_020 organ:roots | genotype:18-4_R RAW_FILE_NAME=210708cEMsa02_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 21_021 organ:roots | genotype:18-4_R RAW_FILE_NAME=210708cEMsa03_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 22_022 organ:roots | genotype:18-4_R RAW_FILE_NAME=210708cEMsa04_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 23_023 organ:roots | genotype:18-4_R RAW_FILE_NAME=210708cEMsa05_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 24_024 organ:roots | genotype:18-4_R RAW_FILE_NAME=210708cEMsa06_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 3_003 organ:roots | genotype:12-6_R RAW_FILE_NAME=210708cEMsa07_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 37_037 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa08_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 38_038 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa09_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 39_039 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa10_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 4_004 organ:roots | genotype:12-6_R RAW_FILE_NAME=210708cEMsa11_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 40_040 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa12_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 41_041 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa13_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 42_042 organ:roots | genotype:290_R RAW_FILE_NAME=210708cEMsa14_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 5_005 organ:roots | genotype:12-6_R RAW_FILE_NAME=210708cEMsa15_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 55_055 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa16_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 56_056 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa17_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 57_057 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa18_3.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 58_058 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa19_2.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 59_059 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa20_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 6_006 organ:roots | genotype:12-6_R RAW_FILE_NAME=210708cEMsa21_1.cdf SUBJECT_SAMPLE_FACTORS A. thaliana 60_060 organ:roots | genotype:Col-0_R RAW_FILE_NAME=210708cEMsa22_1.cdf #COLLECTION CO:COLLECTION_SUMMARY Samples were collected from live plants and frozen in liquid nitrogen CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY four genotypes, each with three tissue types, 6, no treatment, just genotype and TR:TREATMENT_SUMMARY tissue type difference. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of Plant Samples: Leaves 1. References: Fiehn O (2006) Metabolite SP:SAMPLEPREP_SUMMARY Profiling in Arabidopsis. In: Arabidopsis Protocols 2nd edition. Salinas J, SP:SAMPLEPREP_SUMMARY Sanchez-Serrano JJ (eds.), Methods in Molecular Biology ser., Humana Press, SP:SAMPLEPREP_SUMMARY Totowa NJ, 439-447 Weckwerth W, Wenzel K, Fiehn O (2004) Process for the SP:SAMPLEPREP_SUMMARY integrated extraction, identification and quantification of metabolites, SP:SAMPLEPREP_SUMMARY proteins and RNA to reveal their co-regulation in biochemical networks. SP:SAMPLEPREP_SUMMARY Proteomics 4, 78-83 2. Starting material: Arabidopsis rosette leaves: 20±5 mg SP:SAMPLEPREP_SUMMARY fresh weight sample OR 2 mg dry weight sample Rice leaves: 10±3 mg fresh weight SP:SAMPLEPREP_SUMMARY sample OR 1 mg dry weight sample Other plant organs not validated but advised to SP:SAMPLEPREP_SUMMARY use this SOP in a similar manner 3. Equipment: Eppendorf pipettes: 1-200µL and SP:SAMPLEPREP_SUMMARY 100-1000µL Eppendorf tubes 2.0mL, uncoloured (Cat. No. 022363204 ) Orbital SP:SAMPLEPREP_SUMMARY Mixing Chilling/Heating Plate (Torrey Pines Scientific Instruments) Precision SP:SAMPLEPREP_SUMMARY balance with accuracy ± 0.1 mg ThermoElectron Neslab RTE 740 cooling bath at SP:SAMPLEPREP_SUMMARY –20°C MiniVortexer, VWR. Speed vacuum concentration system (Labconco SP:SAMPLEPREP_SUMMARY Centrivap cold trap) Ball mill MM301 (Retsch corp.) Metal balls (Retsch 3 mm SP:SAMPLEPREP_SUMMARY I.D. Cat. No 22.455.0002 or 5 mm I.D. Cat. No 22.455.0003) Large tweezers Dewar SP:SAMPLEPREP_SUMMARY cold gloves 2 liquid nitrogen dewars pH paper 5-10 (EMD Chem. Inc.) Crushed ice SP:SAMPLEPREP_SUMMARY Nitrogen line with pipette tip Cork borer (Ø diameter of cylinder related to SP:SAMPLEPREP_SUMMARY the amount to be used. 4 mm I.D. for Arabidopsis leaves.) 4. Chemicals Methanol, SP:SAMPLEPREP_SUMMARY LCMS grade Chloroform, HPLC grade Liquid nitrogen Water, Millipore (pure) 5. SP:SAMPLEPREP_SUMMARY Harvest Procedure NOTE: No weighing of plant material needed unless the SP:SAMPLEPREP_SUMMARY experimental design suggests marked changes for the ratio of leaf disk diameter SP:SAMPLEPREP_SUMMARY to fresh weight, e.g. in drought stress experiments. In such cases, leaves need SP:SAMPLEPREP_SUMMARY to be lyophilized and weighed prior to extraction Label Eppendorf tubes SP:SAMPLEPREP_SUMMARY according to the sample name defined in SetupX and put a grinding ball in each. SP:SAMPLEPREP_SUMMARY Using the cork borer take one or two disks per leaf and immediately transfer to SP:SAMPLEPREP_SUMMARY an Eppendorf tube. Close the tube and immediately place into the dewar of liquid SP:SAMPLEPREP_SUMMARY nitrogen. 6. Preparation of extraction mix and material Check the pH of methanol SP:SAMPLEPREP_SUMMARY (pH7) Switch on the ThermoElectron Neslab RTE 740 cooling bath at to pre-cool at SP:SAMPLEPREP_SUMMARY –18°C to -22°C Make the extraction solution by mixing methanol, chloroform, SP:SAMPLEPREP_SUMMARY and water in proportions of 5 : 2 : 2 Rinse the extraction solution for 5 min SP:SAMPLEPREP_SUMMARY with nitrogen, making sure that the nitrogen line was flushed out of air before SP:SAMPLEPREP_SUMMARY using it for degassing the extraction solvent solution. 7. Homogenisation and SP:SAMPLEPREP_SUMMARY extraction Take the Eppendorf tubes from the liquid nitrogen and place into the SP:SAMPLEPREP_SUMMARY tube-holder of the grinder being careful to compensate for weight, maintaining SP:SAMPLEPREP_SUMMARY equilibrium. Shake for 30s at a frequency of 25 s-1 and check that the leaves SP:SAMPLEPREP_SUMMARY have been ground into a fine powder. Repeat if necessary, submerging in liquid SP:SAMPLEPREP_SUMMARY nitrogen first. After grinding add 1mL of pre-chilled extraction solution to SP:SAMPLEPREP_SUMMARY each tube one by one to prevent even partial thawing of the sample. Store all SP:SAMPLEPREP_SUMMARY samples on ice while finishing this step. Vortex the sample for 10s and shake on SP:SAMPLEPREP_SUMMARY the Orbital Mixing Chilling/Heating Plate for 6 minutes at 4°C Centrifuge for SP:SAMPLEPREP_SUMMARY 2min at 14000 rcf using the centrifuge Eppendorf 5415 D. Remove the whole SP:SAMPLEPREP_SUMMARY supernatant in two 500uL portions, saving one as a backup. Dry one portion in SP:SAMPLEPREP_SUMMARY the Labconco Centrivap cold trap concentrator to complete dryness and submit for SP:SAMPLEPREP_SUMMARY derivitization. 8. Problems To prevent contamination disposable material is SP:SAMPLEPREP_SUMMARY used. Control pH from extraction mix. 8. Quality assurance For each sequence SP:SAMPLEPREP_SUMMARY perform one blank negative control by applying the total procedure (i.e. all SP:SAMPLEPREP_SUMMARY materials and plastic ware) without biological sample. Also perform all tasks SP:SAMPLEPREP_SUMMARY once samples/standards have come to room temperature. Finally, include a pure SP:SAMPLEPREP_SUMMARY MSTFA vial for liner conditioning steps. 9. Disposal of waste Collect all SP:SAMPLEPREP_SUMMARY chemicals in appropriate bottles and follow the disposal rules. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Gas Chromatography conditions: A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column CH:CHROMATOGRAPHY_SUMMARY (0.25 μm 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 m CH:CHROMATOGRAPHY_SUMMARY integrated guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium CH:CHROMATOGRAPHY_SUMMARY with built-in purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. CH:CHROMATOGRAPHY_SUMMARY The oven temperature is held constant at 50°C for 1 min and then ramped at CH:CHROMATOGRAPHY_SUMMARY 20°C/min to 330°C at which it is held constant for 5 min. CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Gerstel CIS4 –with dual MPS Injector/ Agilent 6890 GC- Pegasus III TOF MS CH:COLUMN_NAME Rtx-5Sil MS column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Mass spectrometer settings: A Leco Pegasus IV time of flight mass spectrometer MS:MS_COMMENTS is controlled by the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The MS:MS_COMMENTS transfer line temperature between gas chromatograph and mass spectrometer is set MS:MS_COMMENTS to 280°C. Electron impact ionization at 70V is employed with an ion source MS:MS_COMMENTS temperature of 250°C. Acquisition rate is 17 spectra/second, with a scan mass MS:MS_COMMENTS range of 85-500 Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples 10_010 11_011 12_012 25_025 26_026 27_027 28_028 29_029 30_030 43_043 44_044 45_045 46_046 47_047 48_048 61_061 62_062 63_063 64_064 65_065 66_066 7_007 8_008 9_009 13_013 14_014 15_015 16_016 17_017 18_018 31_031 32_032 33_033 34_034 35_035 36_036 49_049 50_050 51_051 52_052 53_053 54_054 67_067 68_068 69_069 70_070 71_071 72_072 1_001 19_019 2_002 20_020 21_021 22_022 23_023 24_024 3_003 37_037 38_038 39_039 4_004 40_040 41_041 42_042 5_005 55_055 56_056 57_057 58_058 59_059 6_006 60_060 Factors organ:inflourescences | genotype:12-6_F organ:inflourescences | genotype:12-6_F organ:inflourescences | genotype:12-6_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:18-4_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:290_F organ:inflourescences | genotype:Col-0_F organ:inflourescences | genotype:Col-0_ F organ:inflourescences | genotype:Col-0_F organ:inflourescences | genotype:Col-0_F organ:inflourescences | genotype:Col-0_F organ:inflourescences | genotype:Col-0_F organ:inflourescences | genotype:12-6_F organ:inflourescences | genotype:12-6_F organ:inflourescences | genotype:12-6_F organ:leaves | genotype:12-6_L organ:leaves | genotype:12-6_L organ:leaves | genotype:12-6_L organ:leaves | genotype:12-6_L organ:leaves | genotype:12-6_L organ:leaves | genotype:12-6_L organ:leaves | genotype:18-4_L organ:leaves | genotype:18-4_L organ:leaves | genotype:18-4_L organ:leaves | genotype:18-4_L organ:leaves | genotype:18-4_L organ:leaves | genotype:18-4_L organ:leaves | genotype:290_L organ:leaves | genotype:290_L organ:leaves | genotype:290_L organ:leaves | genotype:290_L organ:leaves | genotype:290_L organ:leaves | genotype:290_L organ:leaves | genotype:Col-0_L organ:leaves | genotype:Col-0_L organ:leaves | genotype:Col-0_L organ:leaves | genotype:Col-0_L organ:leaves | genotype:Col-0_L organ:leaves | genotype:Col-0_L organ:roots | genotype:12-6_R organ:roots | genotype:18-4_R organ:roots | genotype:12-6_R organ:roots | genotype:18-4_R organ:roots | genotype:18-4_R organ:roots | genotype:18-4_R organ:roots | genotype:18-4_R organ:roots | genotype:18-4_R organ:roots | genotype:12-6_R organ:roots | genotype:290_R organ:roots | genotype:290_R organ:roots | genotype:290_R organ:roots | genotype:12-6_R organ:roots | genotype:290_R organ:roots | genotype:290_R organ:roots | genotype:290_R organ:roots | genotype:12-6_R organ:roots | genotype:Col-0_R organ:roots | genotype:Col-0_R organ:roots | genotype:Col-0_R organ:roots | genotype:Col-0_R organ:roots | genotype:Col-0_R organ:roots | genotype:12-6_R organ:roots | genotype:Col-0_R xylulose 39344 30143 55742 36014 34973 42592 31526 47260 36827 23045 17285 22843 22845 19790 28334 20929 30462 38081 35086 36770 34735 31708 38879 40532 7388 8075 7134 6379 6672 2879 8131 6579 5866 14246 4605 10536 8663 10372 9027 8340 4597 7920 14029 9811 10235 8128 9364 7622 9395 4816 6689 5783 5969 7899 6198 5247 6315 6832 7904 6847 8450 6024 5983 6548 7623 6783 5184 5290 7275 6937 7150 6682 xylose 401562 299484 673886 362236 334280 1579837 386266 547628 402666 286527 309737 255974 303072 237396 408398 255616 421677 488256 413376 359484 365864 346730 1192829 436556 80896 46761 69787 61698 52800 48131 54005 42860 45387 84210 42398 51654 59383 67958 50136 19648 12193 58147 83528 39811 30267 40502 41408 22269 23100 17512 17193 22146 21570 17487 6644 31461 8561 23805 24869 20123 8450 14903 23983 24772 22265 25638 10406 38768 19582 26532 19713 27040 xylonolactone 13620 13353 18043 10721 9325 12644 11931 12365 21611 9448 11276 8414 7945 7745 6571 6070 15733 12939 13717 12962 11696 12573 35303 10544 2049 2403 3242 3805 1477 2119 1781 2006 2321 1901 1113 1296 1539 3889 2123 1891 785 1410 2159 1964 1466 1813 856 1999 6902 4058 3656 2976 3058 2340 3618 4089 3286 1962 3466 2770 2952 2549 1679 4281 3776 3078 3556 3561 3094 2621 3018 2207 xylonic acid isomer 11271 43396 30809 22769 36849 7934 13451 47850 26415 7828 42198 9300 32253 7596 70642 6419 43507 12093 39201 45150 30400 15072 15329 20725 42274 13326 26972 38517 21603 38160 18748 28771 25753 27551 16325 22681 26888 49933 38220 12283 8759 33331 26839 27409 29234 16446 16947 19055 5454 9207 5441 5499 4324 3451 5483 7212 6838 4732 693 4146 5802 4085 3848 4741 6718 3410 4833 804 5704 2009 5904 3859 xylonic acid 79377 59815 95217 63504 56397 72013 79749 82954 90081 41445 66984 35977 45156 35832 62595 36970 92367 39519 63798 87961 61463 65208 77833 62423 9621 4194 7553 8988 10146 8025 6956 9554 5682 8708 6327 7426 7542 14132 9178 3817 7231 9330 11160 7944 8348 5634 5700 7168 6177 6324 9447 10043 4766 8610 5453 5114 10083 4784 5730 6764 6717 4532 7202 6073 6176 7116 5439 9492 6736 6442 8151 6722 valine 955242 1036627 1140935 1552684 879578 1976508 554889 858368 1731909 1059029 1513504 564544 1086772 713697 650239 730907 698226 1632677 1556002 1567365 1271956 619353 1418626 1778442 85741 145186 165323 48615 121721 142255 64049 107225 130598 195318 118458 152083 164990 178644 85262 115681 90711 78588 95828 40868 130941 127016 147656 184774 132490 113939 151862 107951 179453 146297 184533 104850 134042 108010 148833 128951 152619 130544 169958 143117 138247 137005 128493 97120 124736 129085 119212 129371 uridine 189964 129784 364596 180193 166436 300346 156214 329480 261903 154697 169223 142033 144231 166939 233508 67624 159214 289772 261674 224889 231660 149523 256108 171958 43054 847 934 19959 1496 1143 1104 1217 1139 1038 896 748 904 49924 941 1335 1652 1032 33326 971 1616 1169 52093 1385 48369 48668 43772 39587 46559 38172 34978 44660 28453 36107 58141 63309 35947 37981 37795 40387 35331 44984 35488 35352 47382 57940 58076 29023 uric acid 1197 1433 1090 1119 1485 1120 114 1163 1439 212 1282 1174 1238 1462 1453 1261 1319 1650 1497 1416 1486 103 1330 1156 1282 1758 1677 1286 2051 2066 2158 1144 2087 3094 2121 3145 3494 2780 633 1871 1669 2215 3025 1614 2405 1951 2368 4531 626 1153 167 361 173 1509 189 339 459 246 120 90 595 570 278 350 387 516 465 645 473 248 275 1066 urea 9546 15917 10292 11700 494 2857 7348 15142 28465 20192 13850 12949 14421 17542 17407 21848 7832 15412 15256 10396 12960 17113 11813 8810 14430 9225 12971 8630 20526 5020 4388 5415 13665 9506 7436 5069 11557 7031 4537 12726 3854 9449 8574 3814 6212 13262 11972 15951 25296 11110 14860 6627 14954 10428 11886 8280 17396 24877 19473 14205 22470 12418 19243 12767 15698 15521 22118 12308 9445 13358 12069 42344 uracil 37639 23945 56317 40981 33917 50875 26460 44478 50343 25436 33688 21077 26240 22267 27680 18261 24647 50071 47627 41733 51162 26079 37492 37735 1670 2699 3291 1630 3645 2567 2035 2257 2628 1884 3415 2801 2009 3511 2226 2495 5942 1259 2159 1488 3126 2935 3956 2333 7884 5441 6498 5856 7980 7613 8437 5650 5856 5213 7202 5758 8085 5673 3876 7323 2914 6770 4371 5063 4677 6596 6542 6442 UDP-N-acetylglucosamine 4918 5336 5997 5107 3511 4843 5260 4919 6502 3325 4067 4255 3463 4151 5296 3724 5821 4667 6880 4739 5669 5487 4734 3906 1103 860 1109 914 726 880 783 907 788 929 667 716 695 1402 777 810 1175 882 626 776 773 559 831 751 2020 2328 2246 1318 2088 2018 2536 2181 2353 1866 2355 2478 2349 2556 2095 1476 2114 1790 2301 1721 2338 2744 1954 1867 tyrosol 7380 5668 9672 7166 7301 7917 6740 8780 8635 4534 6499 4166 4452 5363 6157 4508 6461 9335 7661 8783 5464 5645 7555 7359 396 296 407 304 459 263 337 320 288 490 332 296 318 600 407 491 398 464 376 308 384 309 361 254 876 276 1022 251 365 380 387 232 337 251 965 228 349 179 651 389 280 238 329 632 289 287 240 111 tyrosine 932858 532465 1828165 948044 685321 1395984 604196 1099764 1226019 563573 898877 511380 611463 379409 691088 341850 645377 1389093 929135 1076713 1049125 581772 1079821 1035224 32295 36527 24688 24076 25263 25648 21600 18147 29756 42087 25648 38063 33436 37506 28017 20477 12172 29658 31125 11482 23270 25261 27104 44110 53351 53046 49732 61578 47884 58911 57092 60013 54624 48239 29044 40654 51760 56535 37271 47761 51126 49969 56305 50151 56123 49369 38728 78105 tyramine 230684 408014 779042 193124 343437 497565 665610 527014 814918 161979 496673 543083 341963 182623 622503 308394 321680 1610072 185324 596870 465788 402296 262784 433987 29633 46735 37091 23917 35382 37233 28502 24287 41533 54702 30499 49118 43875 52496 33484 24382 17864 38609 1708 19201 29970 33716 32548 61005 35855 51929 48642 55287 35115 47597 51540 62109 42855 39104 33037 41559 36930 49725 46869 43814 36318 50320 52887 51536 49571 48252 41131 97096 tryptophan 330813 180237 531433 303176 189248 399856 213915 364177 362047 199169 301445 158498 204814 129928 235388 124575 264781 433186 343032 407110 344688 190855 346793 289680 6363 6172 5259 5360 5861 4729 5683 3765 6228 5946 5399 7344 6920 7114 6162 5754 7162 4764 5778 3075 4256 4559 4626 7499 13867 8162 9831 19872 8151 14687 10726 12218 16066 14721 1015 4612 16915 15699 5086 8880 15618 14359 15225 13992 11674 12868 2966 27953 triacontanol 1283 2247 2544 1455 2226 1142 1583 1668 1052 1453 539 1357 2872 3520 1582 2010 1797 1480 1363 1314 1777 1615 1812 2199 637 537 574 541 564 497 806 585 511 564 556 365 332 474 269 445 1480 252 424 505 438 471 529 352 148 90 162 151 247 210 251 222 126 135 116 157 220 136 225 219 118 109 65 209 133 250 104 60 trehalose 77103 97396 103668 95423 45047 109931 89479 71916 135398 108231 65048 131402 97666 226591 203138 120096 66457 77129 150869 99296 111859 61912 87471 60789 2552 8070 5355 10967 4423 8197 4891 8530 7023 11210 7207 8306 7570 11830 7001 767 5477 8254 9602 1018 9534 7150 6884 7774 30911 22756 18804 12103 32483 27761 30911 26011 20844 20011 8395 22028 42352 24459 56272 44010 21821 8190 24312 31281 4797 15526 27310 15432 tocopherol gamma- 9707 8109 11258 7302 9031 11452 10589 15036 12988 6945 14155 9387 10244 7389 10084 5356 8313 12282 17567 17361 13078 6195 8464 7933 596 405 517 469 472 613 469 486 335 543 457 235 261 559 432 706 796 328 578 342 441 388 560 320 553 325 604 455 587 1049 543 745 495 929 710 669 1291 586 1010 825 553 431 606 776 793 1221 507 193 tocopherol alpha- 7944 10499 9451 11982 9899 13604 12160 22832 15167 4276 11910 5682 8813 8636 15678 8425 9749 12291 16107 15613 17494 9567 10669 10782 3223 4407 5026 2529 3275 2763 2210 3078 1967 2293 4251 2307 2832 4044 2801 4316 10085 1675 3371 3613 4920 3937 5074 2337 518 497 676 576 697 837 726 408 431 499 865 409 578 434 1385 696 710 514 504 758 548 480 393 128 thymidine 11279 9825 14744 12043 10336 14497 7477 13463 19978 7500 5781 6090 7065 6282 6977 6061 8708 15518 11475 13411 12642 7559 2584 13546 751 852 1051 558 694 755 494 754 865 1022 1100 813 693 882 392 506 1168 484 772 422 767 690 1250 839 1861 857 1867 1060 2006 2026 2355 1336 1384 1100 2158 1421 2987 1237 2689 1756 2653 1836 1018 2113 1383 1649 1977 823 threonine 312427 335681 523500 487943 220945 551536 248599 349318 525612 341912 546944 231967 391235 334106 289374 325067 298618 396681 596560 573252 384219 252118 561264 511914 118916 372213 422856 93968 162443 236963 73005 181290 206171 223515 138165 180087 239470 335547 134315 117679 108002 116811 131318 89369 254864 181729 233161 212318 50858 47532 59117 33377 62051 49982 68250 43109 56743 33112 48198 56688 46334 44199 73628 57091 36989 64605 56297 22396 44150 31052 43041 57381 threonic acid 429254 438922 628244 379405 343282 445959 361564 381888 583173 311827 366295 389407 228907 434739 456963 344310 490503 321047 436747 425199 413759 493156 608628 360773 65165 72721 52311 50948 56366 51212 31521 43624 59103 60227 49863 67377 41640 48009 43561 15837 18741 44085 51669 36650 40245 46183 26292 42611 1995 3993 3215 2228 2231 1407 2528 1896 985 2799 3111 2056 2110 724 2489 2440 1408 1395 2464 1739 3654 1364 1746 3108 tetracosane 5450 13080 15290 10679 9666 11209 10565 9541 4790 10944 10125 6415 8870 10319 12999 9566 12180 7742 13506 15680 7236 10812 13401 11454 4860 6934 7082 5108 4079 6406 6500 4383 4143 5053 6223 3186 3699 4796 3563 4851 10813 2909 4571 4963 7674 4171 6448 4366 6955 5449 10366 6281 5015 9700 5469 5885 7595 5861 6142 9641 9232 5280 9702 10558 9237 5482 686 10322 9622 9988 11484 2484 tagatose 4221 4477 5277 4353 5284 4289 5432 2603 5615 3642 4491 4251 2271 6957 6728 2609 4926 2908 5072 5763 5103 3661 4443 4653 7223 4818 6005 5588 3308 6783 5754 5627 3624 7428 4990 6373 5675 9483 6699 4142 2305 4799 8542 6792 8422 6190 4862 5607 766 733 716 843 605 661 603 803 587 550 594 529 786 633 612 560 797 602 845 694 559 817 641 375 sucrose 318705 152260 536205 329183 21682 175516 300490 448494 262720 208038 277402 207326 201747 92147 161729 124535 507568 228539 387345 398578 213332 99669 338741 378518 9766 2546 5635 3876 6154 4808 3974 8341 1554 5981 3758 3251 5268 6547 7230 4632 4156 10079 9137 10346 45868 5132 10923 8540 82 3359 3162 3884 2757 1140 2684 3870 2138 1014 3824 2876 4916 3157 1877 1345 888 1910 2912 1774 2118 3402 2091 3041 succinic acid 590663 527451 927459 481345 486890 597454 542894 787976 765709 506675 632291 570382 527575 578374 826124 506874 786655 549592 743163 741298 536315 560216 683464 559326 58191 39434 17750 49095 44598 46189 46448 26525 47568 43789 29087 40845 57093 79840 74659 42125 30804 69796 53383 42974 54013 37824 30875 81068 80457 68410 73047 76394 51490 78717 57780 73438 65800 77772 67868 68101 35159 73234 67961 80104 67398 59648 52454 99507 64691 65619 63811 66057 stigmasterol 1414 2430 1725 1447 1487 1761 2059 1802 1772 1240 1883 1582 1101 919 1415 1462 1650 1313 1538 1737 1429 1685 1836 1548 442 459 899 397 414 351 270 411 288 158 385 317 238 1286 217 1266 534 214 1238 351 422 195 410 251 11359 8478 14947 16839 16605 13629 19803 6557 7145 7403 12012 16758 12924 15450 11024 13535 15336 10455 9410 13250 21693 27105 14470 8820 spermine 7813 6294 9579 9273 14828 7055 8366 9054 8889 6536 7570 4855 1149 14046 23246 6165 10585 7453 13861 6962 14298 5924 6474 9711 11200 9958 10401 6024 6572 7312 7069 4680 5706 5616 9162 2606 5156 10872 4524 2984 12716 5132 6814 4571 5557 6220 9687 4903 8917 5583 7656 1869 8078 4135 1832 6987 2113 1502 5666 6268 2546 5375 8283 8199 1504 5870 1805 1941 2013 8258 6538 1939 spermidine 77258 59881 127817 93110 219521 66340 92833 140023 59923 61159 82241 66248 179996 297525 399358 66200 101941 73420 269805 55073 150541 26423 50937 190365 45167 58774 57566 30553 43341 56054 48363 40963 36385 47571 52439 43641 44301 66681 34558 25892 41184 45429 42532 18890 37504 44742 38768 45784 45188 5183 19140 49287 27775 137163 24780 7662 20904 5593 4604 19926 22073 39556 50404 75602 25898 90460 15094 14383 45942 35602 11012 50925 sorbitol 21907 17387 28763 18244 15614 19500 18552 21767 21803 19843 18454 15830 17545 15662 22133 12670 20032 23234 21059 18275 20938 20571 13747 19696 12083 5523 7735 11307 4550 8090 6679 6005 6826 6147 3633 5957 7498 9897 11373 6322 3339 9903 8976 9295 9154 6055 6867 9429 7069 68345 13034 20986 11026 7120 12399 16320 7002 7435 24963 25871 2031 10268 16556 13854 18886 22239 37013 4112 13916 27684 9316 8768 sinapinic acid 29838 31513 55577 54480 56326 68401 35227 83728 59979 34063 62029 14393 5373 34965 39639 28890 34069 47407 97265 100443 101155 42842 43141 36390 22575 6495 8151 12392 10188 20107 23912 9185 14041 26390 14681 10494 32326 23630 16860 5435 24566 14722 20947 7746 19570 10406 10098 31433 277 469 263 192 333 441 303 409 269 222 256 259 572 207 255 329 253 515 373 627 360 267 220 113 shikimic acid 298949 384902 523839 316770 404002 420375 345857 358854 405196 315613 410808 345804 313307 459775 498959 335513 340926 229548 411444 498818 314423 486940 587960 342664 128775 76343 102979 111203 81682 81567 93729 81371 78177 125443 70375 89901 107042 140668 113846 70391 46646 114050 125369 85282 83941 75449 64192 86740 107719 103250 87516 106981 93341 77008 77511 95096 102720 73103 100330 87336 81408 104564 76545 114334 89875 8017 88708 88857 92894 97268 96250 77193 serine 1913856 1621676 2672666 2177594 1333993 2498482 1597370 2496131 2574975 1537113 2012858 1305675 1430813 1485820 1414319 1495845 1820687 2129066 2581580 2618622 2015348 1553658 2234734 2021434 1109255 974227 1299653 700031 839723 1003545 598885 740913 724677 898795 583169 667400 755051 891609 587624 400202 300120 508317 931125 645813 1089866 727441 955305 689175 165242 168353 107619 129029 143128 146471 137109 159234 158509 79572 79995 112549 127584 117690 242922 110925 120709 157401 116229 107067 116732 55954 120058 205997 scopoletin 739 1695 5905 3881 2997 5376 3020 6535 5008 3058 2127 1718 2919 1728 2766 1511 3125 7240 2537 3519 4954 2812 3672 4420 291 175 364 258 289 294 256 195 198 285 151 216 311 651 237 177 396 257 2387 479 203 177 230 190 4848 3649 1435 4200 3019 2597 2258 3409 2957 3176 2731 3462 7914 3556 3013 3802 4019 2349 2993 2589 3092 3803 4134 3118 salicylic acid 3032 2784 2960 3284 2772 3235 6542 2730 2708 2398 4335 2708 2084 2336 4148 2547 2685 2803 3119 4083 3375 6157 4255 2655 2317 3162 3849 2290 2430 1643 1878 2955 1771 3899 1541 1557 1905 4590 1587 1802 3251 1500 1388 1522 2461 1405 1678 1907 2552 1805 2313 1584 2287 1782 2499 1789 1663 981 3152 3242 1846 2045 2838 2760 2723 2946 2260 2299 2419 2672 1782 1208 saccharic acid 13841 10326 16642 9926 8862 10536 4664 17256 16082 6365 10603 6739 8187 5461 10299 6419 14481 10652 13571 13877 12085 9316 16003 11934 242 469 411 440 485 100 472 381 351 346 403 382 288 519 351 349 586 283 245 201 325 376 446 368 4099 2719 5713 4723 2299 3915 2244 1607 4651 1652 2840 2315 3201 2178 2604 3760 3424 2832 1629 2941 2893 1518 4128 3200 ribose-5-phosphate 8337 8535 3887 6288 7852 3869 6485 6231 4409 5674 6196 5443 6026 6920 4908 7117 7177 7425 6004 6045 6971 7798 4334 6771 2176 1664 2530 2185 1800 2142 1704 1650 2191 2433 1358 2121 1770 2513 1722 255 1218 1863 465 1818 2085 1605 1678 2177 2879 1763 1359 1481 1633 1842 2095 1969 4223 2394 1276 1077 422 1775 1145 1792 3932 1557 1615 1250 1325 1539 1743 952 ribose 690278 355521 1265037 577657 525990 841989 452017 859125 331058 435452 360869 348433 456891 327276 564164 286326 517945 932134 660127 674131 585717 439403 708059 747286 101162 98363 83537 75444 90337 83394 95390 39322 79518 177772 76705 116263 87807 82728 97203 95134 16152 113027 131984 90292 82792 103148 105217 130416 208088 174844 210804 211981 190254 221809 229578 219326 153983 225951 264549 209848 247407 198159 130990 204267 224621 198340 157288 181620 237264 259750 241481 223635 ribonic acid 8177 13363 9665 4790 9583 9988 11490 11809 17851 6915 10431 4965 1810 6436 9204 9728 11729 8660 12037 11507 10882 9055 13108 10859 1969 1489 1631 2042 1934 1778 1262 1392 1761 1972 1183 2005 1593 2070 1857 1067 950 1664 1887 1522 1477 1205 1205 488 2633 1841 2352 1744 1635 1680 1011 2352 1919 1238 1351 1495 1611 943 1433 1804 1554 1510 2196 2038 1532 1520 1815 791 ribitol 4468 7923 10187 5738 8175 5856 7267 6635 8572 8015 5053 7427 5678 10099 9273 7453 4005 5807 5885 6072 5561 9921 9714 6418 19846 11956 20557 18031 13391 18771 15669 16152 3194 23399 15118 8060 791 23060 18182 14669 4061 15625 22518 20471 24018 16479 22344 12953 1223 1437 1829 1697 1909 1094 1157 1494 1159 1224 2896 4008 1353 1574 1417 1984 1470 1246 1272 1565 1216 1323 1812 1394 raffinose 3571 1606 2955 2515 3058 1770 3248 615 1769 3611 2741 2162 2231 3538 1580 2092 5223 3561 2809 860 6063 3061 2642 2027 9231 4370 3536 9210 11652 12523 13596 18429 10865 9216 8983 11045 8842 11296 15061 8490 33769 10263 12591 38336 73869 14999 30041 8651 241 111 563 191 672 437 278 420 259 295 536 264 584 370 439 358 512 472 429 406 455 378 209 128 pyrophosphate 14819 32354 16831 11370 15131 12072 20314 16007 5335 19600 10472 17463 21220 37847 28353 31359 19724 14603 19039 17671 13627 18501 17688 2774 23356 18971 26940 17453 16203 24059 20027 13382 18535 20695 20066 17539 19386 26712 25183 26788 25784 18244 22755 18356 23209 23606 33763 18403 22468 1206 18458 16692 16135 382 18614 14393 17470 14347 13928 13108 21139 13724 15746 26693 21745 17758 15855 25674 17361 1587 15400 6419 putrescine 544097 456259 820665 543084 795747 723952 630416 1086445 660453 513411 727245 519955 638511 728093 1198242 441085 492185 565489 1002281 656296 679481 351927 576723 667676 18429 16277 24474 11013 17148 26914 9480 9369 7489 15761 10672 9788 10244 28406 15035 13396 9746 20001 18353 13560 22520 16456 19539 12166 37227 66763 64614 88784 222560 89293 72277 68807 24421 92179 112581 116140 34340 75404 72901 61284 41865 129164 55565 48919 47782 87035 67411 48675 pseudo uridine 35907 26465 91840 43516 42604 83508 24164 72926 49276 19070 33007 29935 35521 11189 45750 20558 31536 105542 40724 57979 53775 28999 60200 56239 2247 2925 1750 1883 760 2282 2153 1841 2157 2911 2055 2362 2248 2705 2037 2738 2225 2611 3041 2563 2428 2600 2572 3264 4218 3438 3205 3768 3992 6757 4500 3380 3846 4614 4399 4668 6103 2662 4497 3765 4577 7396 4016 4604 5596 5583 2747 5580 propyleneglycol 32091 30060 23553 19238 30461 16510 29679 1233 19147 23319 1415 31828 16556 11989 35735 7791 27083 30040 14685 933 28214 28845 1272 11917 43474 14189 23756 48136 24503 8337 19801 15904 15595 12791 15001 11360 11433 15259 22806 21688 14154 23137 30154 24060 12444 17133 13303 6870 10016 8700 16807 12645 8665 23763 18003 12271 7694 7749 13855 8873 18005 13739 2206 19559 14431 29459 20961 27619 14436 13772 6171 2651 proline 588143 641408 462541 1554037 328221 1117913 298083 292007 910838 1188789 1913595 297431 571293 385164 275483 847164 466771 792467 1073669 915225 792384 496264 608275 1231784 28357 86106 195584 8577 52990 99176 18651 62507 79075 65873 59393 58773 168336 220297 46724 119015 75992 60931 32132 19169 125168 68652 144482 107848 29147 26487 37326 21196 41956 23534 35890 10849 27709 16464 38716 41281 22380 41886 48001 36561 18525 35628 31746 7611 15270 18273 19090 36505 pipecolinic acid 8084 12543 3546 17002 6542 8313 10149 2018 7077 18015 76760 9033 39694 7568 4013 10169 7381 9259 8247 6928 8214 9771 10468 17731 1377 2337 8896 1113 1375 1311 1160 1071 1257 1054 1276 1152 2060 7483 1296 1966 2313 1317 1239 1272 1840 1238 1545 1591 4589 3713 4016 2060 11928 3291 3088 2355 8248 5107 8065 3103 5079 6811 5702 9352 3891 4512 2516 1847 3229 1553 2011 1154 phytol 371900 325212 521204 468948 412271 580425 403858 632878 310542 463605 492506 404669 367688 555883 582513 453053 393035 458273 612564 718498 559914 501545 447847 319149 202863 229219 193192 159953 165314 148618 184566 195860 142741 212308 215895 128221 136486 160928 132533 222570 519235 108618 1313 162496 191894 141099 197262 153845 1641 29588 47865 31000 58475 2059 45400 23440 858 59077 93949 92353 4120 7416 27123 36824 23255 48728 9634 11968 21518 63709 25689 2113 phosphoethanolamine 1522 4081 5847 1375 1596 4420 2324 6616 5186 1285 1595 1809 2043 4850 6110 2534 2160 1546 4499 5721 1667 2034 4150 2965 265 203 201 214 258 206 205 407 138 228 262 133 78 233 128 135 953 120 230 269 140 222 213 166 2056 17117 14377 21201 12112 6542 9293 15303 15161 10560 6820 14013 12941 16655 11342 17663 12179 12822 11990 16462 7759 11133 13579 9067 phosphate 1417801 972939 615565 1244146 848603 861461 1158492 1021637 1046740 616139 848055 509166 712332 332542 754452 612930 1149481 1183097 1009317 1073101 1215009 837801 688424 999369 10119 8662 18498 18470 22224 9003 9761 16699 21676 8851 11852 9000 10378 13583 6338 9636 30509 8291 14034 7563 9841 7672 13037 17586 586755 577497 618991 562679 488211 538815 572551 725633 686121 406990 436956 475292 479195 477043 490556 550567 697039 403243 683064 758429 642119 538113 571636 372918 phenylethylamine 7714 6648 9898 5713 5725 9307 7022 8105 22003 7476 3870 8903 8002 3921 11018 8581 4488 8862 11538 11808 6282 6098 8765 6915 1793 1686 2000 1947 1889 2166 1996 2361 1990 2113 1855 1996 2551 3055 2988 1816 1315 2515 2369 1547 1717 1651 1848 2246 1418 1485 1152 1167 1181 1525 1221 823 1508 1199 903 1201 4366 1232 1099 1418 3040 1333 1293 854 2305 614 882 1292 phenylalanine 559859 285657 975187 546791 456526 777913 374060 562679 628073 362137 486132 336816 365098 263914 461982 207090 415336 811269 557267 635675 587119 340292 665727 589972 41122 22493 35038 28221 31788 29124 23871 17391 27300 52569 26507 33914 43041 45878 31247 25245 18065 37382 40332 19551 19530 5889 22969 52552 39386 35822 45499 41199 40968 39274 41565 45370 41996 41400 23024 34420 31028 40320 21076 41079 38007 33291 38613 40590 42074 39202 27086 56357 pentose 44168 59121 403217 32914 35994 229750 224781 275286 234217 142265 64981 35503 47112 212568 63241 159314 62120 236358 60796 268175 56237 207155 197888 37121 19627 12939 12360 37935 5076 37429 11714 7915 10321 15749 30108 11403 42687 13075 8156 9009 16614 8774 14613 6048 8247 7371 10841 8129 19643 4186 3208 5318 19439 17502 15704 21632 17827 20258 22024 19173 15202 19370 20772 23536 3949 9468 10179 23443 20303 17820 21655 5825 pentitol 47766 60642 77474 48569 58499 57131 51369 61973 79156 42092 45845 47291 37390 63584 71211 48182 54519 49873 70342 73827 57509 70378 67698 50825 12366 9868 10911 12771 11344 8248 12360 8966 8918 20627 7744 15172 9843 10042 13420 5381 5755 10228 20060 10312 9517 10849 9273 14767 4252 4471 1215 10159 4279 7644 7875 5169 9157 5246 4762 4472 9484 3843 2496 4232 9154 3435 7823 7264 8962 3908 5365 8009 pelargonic acid 21571 52359 25020 14946 21329 16792 21120 17778 13851 24878 20112 20684 31970 36412 26792 28103 24565 17217 21295 20978 16517 29177 23115 23339 36711 32017 51867 34788 56351 52809 41730 28552 45673 23014 31955 38495 26066 36851 28348 40971 56695 27363 29660 29875 34604 36077 35407 22667 22774 15440 24464 19618 26032 27207 22199 17750 17476 13781 19598 15354 35697 14050 16752 28495 23653 17967 13702 26367 15432 24047 16640 4972 palmitoleic acid 3517 2373 3755 2940 1974 3313 2058 2409 3179 2169 2500 2391 1944 2695 2568 2322 2416 3169 2679 2880 2664 2579 2365 2920 3405 3672 4120 4108 3261 2859 3951 4692 2883 5371 4790 3036 2896 3316 2251 4028 2464 2787 4344 3915 2137 3640 4095 3615 624 1643 1481 1193 1080 1429 979 1724 547 502 1667 931 620 1802 1398 1858 1175 1248 1079 1930 1370 2577 2090 1351 palmitic acid 193808 259714 290107 185031 188375 243988 197859 259405 220310 204648 196969 189111 177807 282679 228012 213389 182219 247537 231876 276367 182401 263474 305724 193842 369113 289748 386902 307962 329279 299476 335039 316636 254831 370300 353169 264352 231626 331806 253460 357036 479096 208963 323899 270604 348174 280568 344549 216718 253032 155255 182311 152554 178646 194675 170032 158553 145146 201500 194371 150629 282196 157910 178420 202575 210926 135967 136007 217565 179878 247778 194275 76261 oxoproline 3159226 2282415 2931083 3306285 1809985 4486991 5255259 8227420 4525966 2596021 2863447 2798350 2002236 2184260 5910686 2280545 2486943 2363214 4318666 3804761 3262641 2380113 2666835 2181110 714420 965565 873970 565128 675429 653756 935926 531965 558606 573629 858971 644219 764480 992890 660751 788667 1013011 630562 743292 486170 674598 681224 780591 630855 374819 391248 372742 448445 632983 366740 332777 341401 406102 545010 431028 535990 245336 342709 432629 493068 327833 536241 406909 408699 345612 371145 350011 400698 ornithine 108946 49607 218228 130400 67502 249435 81344 98675 181652 76293 198900 65272 59072 54059 117296 50598 80780 174881 184440 190503 128006 54547 194255 105650 8029 9301 12911 18748 7395 9691 26228 7346 11116 8344 8748 4845 13025 14073 8864 5930 30084 9067 7118 14922 7636 7048 8866 10518 9859 11859 10140 9468 11865 10460 10395 11333 9801 4228 11906 14962 8876 10497 12846 11562 10428 15299 15839 9878 8634 10406 8269 27419 oleic acid 9285 8085 6336 7834 2409 10351 6421 11832 9010 2883 2719 1915 4693 7926 4629 7141 2966 9470 1063 8248 3954 4850 8937 4079 7486 9932 11800 9130 6783 7326 11394 1552 7398 6972 12042 7309 6946 11833 8052 8486 7432 5623 9615 6792 9363 6067 7051 5403 3348 2195 2875 2963 3279 3590 2648 1665 2112 2540 3660 1865 3894 3502 3972 1116 1539 2062 1302 4711 1467 2118 3887 2975 O-acetylserine 3935 4750 3857 4621 3783 2141 2154 2203 2844 4929 11898 3191 5609 3849 2776 5781 2962 3215 5755 2187 2878 3754 6380 7955 667 1662 1629 713 1130 1132 424 1105 999 1280 837 1080 1201 1208 640 815 1562 403 515 721 1178 749 932 846 739 496 983 439 928 788 702 514 869 689 743 806 902 629 748 1014 634 675 730 606 514 509 569 1027 N-methylethanolamine 21699 20539 15169 27237 29150 18586 17567 11106 14051 25945 25968 20873 12449 15894 19969 25921 21977 16001 17340 16858 33827 29446 16745 13535 12959 5603 6423 6093 4474 7315 8059 4334 6355 6874 6614 6529 5762 9786 7871 8852 4836 7956 8792 4676 4768 6840 5632 7535 3980 2762 1498 2283 3302 3420 3268 2405 2339 6982 5446 4362 3898 3859 2192 4235 2915 3545 4947 2825 3782 6292 3442 2307 nicotinic acid 107725 70872 150127 101948 76837 118143 101463 175459 145349 73805 93287 65649 44019 39152 71817 49152 93376 123046 102118 118153 98468 89077 110412 82253 18767 13787 22872 19530 20927 14590 15899 20433 18718 28978 16048 19089 20922 31271 20876 23163 15312 20088 22431 15275 22673 20626 19390 19572 24017 10039 13830 10460 19792 15417 15705 16785 15350 14492 15757 12024 19973 9788 9803 14527 20839 12485 11465 363 10959 13785 18728 10857 nicotinamide 4873 7027 6215 5632 5406 7049 9357 6400 9558 7877 8121 7263 5693 13807 12267 8197 8716 3215 9396 8705 6621 8552 6144 3255 2555 1648 2208 1772 2924 1971 1517 2736 2796 4701 1989 2642 3466 3269 2963 384 2014 2148 3177 1955 2897 1743 2574 3619 241 178 314 914 450 432 343 406 364 230 446 296 530 301 584 540 412 268 1440 374 303 244 246 642 nicotianamine 93800 47538 125009 78469 59715 128560 91692 36888 152917 58842 69085 52828 66599 57545 39864 61422 84335 83559 128191 136828 111557 51767 84373 62485 343 306 185 201 323 254 272 279 234 262 356 177 165 222 217 292 459 80 171 314 278 403 369 254 524 185 335 1445 325 4854 1249 474 165 129 282 201 1382 371 584 248 718 1556 454 848 783 199 332 9632 neohesperidin 14408 15564 22885 13660 13640 24147 3831 38672 17523 15091 25137 20260 7417 23842 36019 17123 13199 12113 23370 33057 15631 6569 22100 10658 9207 8671 9103 8335 7689 6834 6713 7080 7346 4866 5859 3034 10270 11713 7096 4950 555 5867 1806 6522 6874 2731 7361 7399 361 611 600 353 420 667 496 384 280 339 692 446 611 243 589 290 515 607 513 554 173 349 389 162 N-acetylmannosamine 86810 94302 105764 81395 103673 87518 100513 118582 131085 87441 99755 89040 87951 105629 141087 81507 108547 81623 103345 101281 76166 107113 70213 90519 154792 125511 129389 103066 118333 136134 107561 116797 92670 143612 93808 123907 124381 203681 145050 125699 74857 130947 171375 156280 182974 131514 152110 112604 10758 12695 8379 11052 2556 10610 11890 13354 11629 10870 13056 14504 14992 13002 10010 9970 13904 10805 12794 9455 1889 14915 13180 12643 N-acetyl-D-galactosamine 18803 11768 30234 20039 13883 25228 5797 13609 26028 13475 21173 1835 8470 10527 10458 2207 14661 21152 19842 11202 16499 14909 14187 9546 2372 1924 2001 1942 1774 1049 1014 1530 948 2519 943 1255 1414 1965 1819 858 794 870 912 1790 1669 777 2092 1322 1862 1795 2080 327 1351 471 373 1641 354 258 356 1610 447 1962 1619 1790 480 1395 350 372 355 2725 2214 1241 myristic acid 5554 8765 7767 5887 5470 5484 6134 6522 6105 6208 5098 5184 5105 8007 6714 5235 5544 6571 7272 7442 5545 8111 7792 5767 8792 7803 10926 9159 7564 9225 7223 8248 6699 10365 8121 7348 6183 8798 6817 9421 12172 4267 5923 7276 9942 6759 9016 5565 6867 4143 5965 1703 4868 2252 6204 5483 4068 4979 5261 1703 7263 4410 1964 6365 5928 4480 3043 5729 4414 6974 5066 2311 myo-inositol 4916661 5798767 2226184 4491245 5327734 2212160 4365540 809528 2493610 4065146 1289835 3989339 4132733 4779157 2874130 4470511 4669797 4138668 3387790 3426143 857094 4862463 2496078 3841320 1425610 1140598 1243343 1430656 1111687 1182783 1019208 1102549 1220685 1510001 910390 1253489 1126014 1672829 1158207 784675 507543 1107959 8838 1112652 1286092 1053826 999082 1239955 627220 702652 546934 685207 506814 689603 679120 725301 594674 557565 662037 671738 786848 704854 513031 532734 641690 669825 802747 593253 739184 719471 703275 602561 mucic acid 15158 10051 15436 13188 13849 290 16615 8132 20792 3539 11343 5568 10531 8966 13584 6242 20681 13823 18262 14992 22631 8760 1578 15738 692 1710 1665 1153 1425 616 1541 1381 1217 1168 1749 1116 545 780 559 1130 1748 587 1769 445 670 1307 1395 386 1290 1355 1157 1546 1444 1412 1217 1295 1237 985 1129 1432 2278 1129 1191 1099 1707 1639 1557 1071 1428 1070 1496 1525 methylmaleic acid 1030 1678 804 822 1255 588 1009 609 503 386 751 1187 1132 1692 1380 811 496 464 542 395 931 1157 803 624 440 353 382 335 449 470 363 358 414 390 408 399 315 387 344 642 806 324 308 266 404 456 708 300 733 339 470 378 411 537 315 393 431 304 366 258 501 350 559 605 425 345 503 450 360 507 282 131 methyl O-D-galactopyranoside 54591 40838 84907 64303 125506 46207 64606 85625 56561 46687 38425 23711 99437 123871 189624 32563 71003 38977 91566 44518 16789 38845 293727 119739 4888 5287 5664 6493 5354 2995 7753 4603 4701 5920 954 4578 4250 5697 3992 3593 6251 3449 5459 3348 5459 3830 3116 575 7944 2714 5061 5517 4410 10753 5585 4139 5017 2993 6602 6275 5740 6044 7004 7112 5605 6838 5356 6023 6311 7137 5981 4109 methionine sulfoxide 158407 157372 300963 149579 170834 230990 178315 173095 230263 110468 171319 107221 136412 92322 138917 121118 124546 195694 194216 171973 131897 154771 267403 155938 76242 41069 44542 63526 43945 61241 48056 54017 46897 54507 42727 47595 53249 72844 67772 32059 25211 59947 81679 54594 62740 43664 45555 65066 17099 21427 20383 18825 21181 16163 18285 18364 14898 17746 21128 19268 24021 25176 19068 17015 19472 18668 22944 19892 18902 18760 20492 8777 methionine 265914 110244 423545 268762 163634 425760 151681 185040 334419 178595 345708 131845 144732 91431 135011 118700 164574 426919 333076 404946 300396 101434 281329 237843 3373 7555 4778 3731 6498 6462 3784 6526 7752 12623 7490 7506 8119 7656 3918 5725 7773 4470 6206 3357 5586 5299 8070 9096 23426 18775 24773 18953 21148 20841 26481 19637 25048 17871 15969 20778 17965 24667 23758 22926 11297 21258 19829 16250 20878 18519 18989 27301 methanolphosphate 884114 741469 951280 849763 537524 631655 886859 877047 847229 527945 599217 491100 482244 291725 159182 499624 884588 628050 893113 655409 958168 686193 603422 660802 3266 3229 6447 7772 4135 2083 7454 4973 7358 2925 8373 3858 2762 3827 2705 4513 17860 1714 2855 1864 2196 3715 2771 2438 143603 73791 147402 155014 137916 331652 154438 110739 112159 108169 233334 216316 160398 167343 215307 212053 150152 220614 168249 194179 201864 191089 173738 196928 melibiose 2585 1310 2728 1133 1927 1469 1113 1168 1492 2525 3274 1006 976 1325 1501 4102 1980 1501 1069 1341 1259 4585 2031 1888 1586 800 1203 2072 1753 1214 1356 1889 619 2441 1576 3259 1626 1504 2173 3027 2498 1481 2588 2789 5258 523 3277 234 578 378 148 291 179 286 501 410 212 241 223 156 676 187 492 251 445 233 705 361 224 493 249 304 maltose 131719 130596 207080 84486 245692 127837 97212 217502 183704 116262 85190 132764 111103 183982 191705 94318 114207 88764 126960 120727 132764 165461 87073 135060 85901 61538 85262 131840 88010 75223 109594 121069 81714 69150 80385 53404 86032 109981 103365 33950 24185 101540 103158 48836 44914 45204 43193 65091 97947 107139 69542 88319 77919 357978 120498 95020 87204 68995 10177 182265 229805 81278 155728 119515 209910 9541 74292 115413 105993 109929 197349 58957 malonic acid 37055 14846 30070 17275 19977 19158 26098 15642 29425 18283 23229 17767 9530 5724 12158 16303 35701 30834 23898 17336 27659 19245 14466 11905 136 120 267 166 215 192 139 227 119 142 213 168 102 208 104 274 368 118 206 146 134 170 232 147 466 210 494 336 425 347 530 363 352 285 464 265 624 365 435 372 478 411 355 499 145 384 199 289 malic acid 5131482 5420692 2715776 4174030 4839823 2656808 4234666 3922605 3027690 4899428 1393969 4858904 4898014 4822023 3491663 4256627 5076583 4276617 2711049 1818649 3649839 4730420 3041891 4830191 753098 636001 438081 573766 738873 572910 824172 644631 755719 590563 983358 705478 868063 1108842 975216 1153390 1598038 986773 850731 931300 1210269 752543 768828 625165 967549 847694 1020738 937477 779024 895948 784400 1005746 947689 1142707 933749 820801 488490 799704 930113 1157567 889863 935818 970406 1309755 885555 761442 825229 793719 maleimide 14681 25962 25592 21824 23188 16207 4832 8255 53078 15911 17473 7950 32853 51781 32718 13558 15412 14955 44465 33055 19068 4667 16452 33587 8788 6253 8459 8718 7700 7196 8364 5152 7624 6790 8205 7521 5825 9092 8312 10896 14370 6983 1927 7701 6429 8034 9662 7999 27950 9306 10882 13669 14055 15703 10580 9178 8996 9372 15866 13932 11573 9488 688 16184 11943 16445 9800 11327 12342 13895 11452 10094 maleic acid 27778 70346 39212 30466 30155 42030 36300 94400 27793 42506 38381 47714 35063 58089 87165 34551 33131 24538 30445 57485 26738 90824 64573 49639 19384 14051 13254 13609 11810 16126 14450 12680 21027 13975 20560 17145 22856 25473 25843 19625 22110 21770 20331 22508 30045 18692 20251 16404 1320 1962 2978 2297 2389 1446 2439 2177 1070 2603 2168 889 1466 1270 2148 2571 1628 1993 1853 1013 1605 2032 1071 852 lyxitol 44892 3646 65374 36338 24993 36458 39734 4285 50952 2970 33355 25479 28315 21043 33888 25736 47383 38274 7445 5584 36275 36011 44813 40326 5733 7172 21347 17506 15427 20195 17626 16690 13230 23689 15772 12152 15145 21768 3976 14927 3031 16339 24365 20928 24235 18348 23238 1194 4542 1224 2926 4217 4542 3015 4872 4624 3875 4221 4913 5751 5436 948 4635 3819 5019 4275 5106 4349 4457 5151 4246 4880 lysine 203424 101609 456820 183521 118854 362250 86610 284110 297024 123725 205247 111282 145375 85099 151385 45779 144449 363671 245966 261374 207817 89236 271241 246856 6340 8000 7362 4279 7746 7923 5722 5048 8516 11189 6425 10126 9310 9775 6890 4888 2391 9013 6094 3807 4387 6175 7286 12662 7081 10986 9513 12023 7701 9105 9964 13698 8961 8052 6102 8562 8413 8642 10081 9668 7988 9241 10939 11309 9366 9471 7946 20802 linolenic acid 116416 77322 202674 108136 10718 166983 85543 168385 143263 84425 110743 87609 87445 85288 112912 8869 73169 119608 112301 174309 121821 22706 164786 120534 50365 51765 31632 40114 48891 34848 55236 49926 37697 61682 62930 44213 43287 55161 62094 62151 132088 35683 80953 51571 67754 52534 74694 35652 19835 23478 22287 27921 16712 9459 23100 21388 15816 16842 26849 20427 21318 25494 22223 28422 23621 12324 2273 19102 23056 15464 33942 20847 linoleic acid methyl ester 1659 2507 3164 1602 1217 3535 1807 3924 1474 2246 2803 1776 1587 3888 4729 2299 1447 1551 1849 4425 1072 2696 4646 1266 5937 2908 6264 2964 2529 1589 3437 3039 3862 4525 5234 2629 5140 3859 6651 6108 9036 1004 6576 2492 5548 4556 7427 3547 1174 1160 1494 1263 1270 823 1142 950 990 1226 1939 1207 2264 1016 2417 1868 1552 1773 1163 1486 1633 1365 2033 506 linoleic acid 32961 26258 45465 33240 29291 41929 26572 49355 36361 19441 33125 26642 22496 27445 28017 23025 24842 39103 30269 44202 31838 34679 47633 31341 13456 15816 17890 13081 14073 10525 18562 14646 9438 17735 20476 12608 10470 7989 11723 12146 29448 8003 17669 11578 15656 11612 14956 9799 9049 13149 11298 15140 10528 13589 13256 12215 11035 8608 12617 10292 17705 12946 12993 14182 13053 9663 7230 17606 14955 14017 20264 11017 lignoceric acid 9057 10281 15707 7677 6945 9007 9542 10436 8768 7582 9208 8008 8298 5991 9664 7265 11656 9322 13016 12583 9714 10836 11257 10755 2970 4307 4162 3112 3925 2915 3980 4130 2815 4955 3449 2573 2528 2628 1954 4863 9655 1983 929 3015 3499 2705 3184 2325 9171 7726 2708 10568 8855 11675 11506 8945 6656 7836 10024 9468 16510 10717 11218 11062 9916 1784 5954 11746 2266 10638 12812 5829 levoglucosan 9946 21662 13210 13061 9565 11425 15169 17196 12309 6033 17876 19922 8826 17234 18554 17918 10997 11688 12923 12722 5793 20842 7999 8108 9603 10347 2172 14774 744 16133 10873 13364 10460 17197 7281 11341 1062 23443 19816 11488 6329 18975 19043 18111 18165 12621 16119 9214 2912 2893 4296 2590 2806 3230 3778 3515 3155 1736 4209 3549 1680 2514 4531 2321 3476 3071 3485 3359 2916 2609 3680 1741 leucine 1923145 1584904 2803651 2624563 1582643 3425197 661639 2323903 2687282 1638974 2562179 989709 1727617 1077753 1330648 1005520 1341945 3044558 2495859 2597153 2310243 570552 2607581 3019400 73097 197076 27810 58154 146449 98431 49898 27624 31709 265999 116709 180919 34551 166626 62812 131322 81531 65407 155009 39220 137829 152012 168807 46931 31107 168377 234134 175821 248935 36693 251930 176161 187103 138117 214342 207120 172950 192608 193718 195078 184530 165241 27651 138662 185706 44646 50901 204582 lauric acid 18286 20166 250591 18438 121033 170569 20199 199453 157455 88179 82926 25876 28883 17884 116182 77546 119137 19898 112519 52798 120097 95747 142585 172387 36192 15387 22703 17444 25737 19283 20485 12638 16008 26837 19406 34163 3669 8482 22510 13775 19240 5605 25384 13206 26387 15043 17981 5571 13425 11353 18151 10800 12795 2742 18830 16705 14286 8478 15329 6760 21206 9589 18714 11419 5958 10544 7040 5028 12612 12839 8606 6538 lactose 33591 15538 25641 3171 11172 12422 5557 5585 3933 26545 1961 6037 6576 5255 4227 31728 27483 8669 2556 3043 8059 28463 38702 8167 3228 894 3830 2949 3226 3798 1354 3048 3247 843 3306 3780 2480 4108 3270 4264 5977 2169 2239 1301 3239 2510 3095 3907 1771 1271 1956 999 1937 1745 2541 1844 1758 1316 2831 2927 2773 1288 3167 932 1813 2282 1868 1867 1945 2155 1372 371 lactobionic acid 87063 86670 124404 74121 101276 97252 72470 136867 141530 57662 80011 60737 68658 65922 97941 42689 85500 74136 96702 76414 88394 104013 76900 90597 7031 5907 4774 4735 7472 3518 6792 3158 5656 9551 5634 8445 6769 4041 5841 4453 3957 7932 10292 3360 3848 5633 5580 10750 3398 3718 3794 4727 3787 4146 4046 3590 3758 3184 4903 4666 4555 4791 3344 4030 4093 3786 4334 3593 4981 4953 4386 5105 lactitol 2534 10307 16426 6729 11058 10078 11140 14842 13881 1727 8957 7506 7645 6703 2381 7143 13250 9935 7172 13064 11259 10068 9851 10763 4550 4214 5343 3976 3810 3707 3618 3483 3008 3578 2522 3188 2845 5505 3331 3232 2355 2933 4446 3376 4549 3386 4668 3169 4071 3188 4286 5414 3992 4973 5273 4820 4828 3282 5386 5206 5964 3745 5539 5200 2782 4937 4658 4603 5920 6389 5569 4613 lactic acid 8784 12648 8442 9841 5819 5352 8031 1324 8114 8699 5674 7873 10458 8995 6954 9438 9420 9182 9641 8260 7546 8668 8406 8561 8513 5628 12257 12890 10383 11463 7631 6221 8097 8382 10317 8089 9062 10497 6974 15302 16095 6227 7571 6434 11049 11640 14497 6686 20671 9182 13196 6919 14119 12887 11443 8351 13793 43834 18000 14702 20011 18084 19714 15734 12323 22156 27592 14126 12345 16695 8663 165882 isothreonic acid 41851 34397 33717 35336 33315 27754 38282 45529 42002 31198 34181 30390 28694 34579 29057 30361 47391 37307 39238 35628 40228 36907 35420 38277 11508 6331 7884 11451 9604 9487 8359 8971 13393 11158 8754 11550 13559 16599 10816 6664 6971 10134 11328 9629 10912 9009 8399 12820 2523 2547 2408 2225 1841 2326 2189 2504 2780 1996 2272 1956 1985 1825 2259 2175 2307 2965 2315 2961 1939 1961 2112 2308 isoribose 27667 37713 45637 32590 18212 45803 38731 39104 35036 34199 31689 35528 30080 22730 51179 32064 26240 33295 44792 50290 39222 14296 43959 31349 20990 14470 11094 11629 13276 15950 11733 6755 14214 15304 12895 13929 15318 21529 16110 9260 7508 12821 14086 14225 13136 8775 8546 15961 2486 1627 2478 1849 2061 1845 2756 1673 1654 909 1803 2039 1946 2545 2111 2162 2144 2063 1704 2240 1033 1921 1224 1532 isomaltose 3125 2895 3895 2953 4095 1489 2794 1633 5266 2889 2433 2757 1692 2297 3768 3037 2578 2626 1722 2097 2599 4333 2258 2929 8705 5029 382 11908 8686 8230 10824 8586 382 12860 9758 17225 9283 348 10105 485 299 7918 304 16806 350 10981 19374 11476 1154 179 375 839 273 594 2001 1534 385 739 310 1411 2158 202 1060 253 1396 768 2579 797 660 1065 240 1170 isoleucine 966635 672196 1461950 1175266 736222 1544036 552369 1214005 1311505 728524 1087119 481813 755358 446288 606402 446075 663644 1523758 1164050 1185528 1090648 582348 1183738 1329071 61653 95276 78999 52933 77080 70878 38455 34660 74796 128551 53705 94043 80725 75244 58410 67468 45901 44694 85391 60085 76540 79907 89425 111327 79694 70892 95586 68628 107061 81014 107576 59017 63336 58588 86725 64204 83485 80814 83726 84164 76869 75029 72966 61017 77552 80512 70593 91993 isocitric acid 76476 94329 110425 87759 121081 102155 93474 99173 115218 42230 88814 62581 62007 77811 106585 73738 83188 85907 116518 134027 109784 103326 93019 60725 13721 18465 21823 20460 24961 12240 31805 21920 19465 17498 28767 18777 15518 16846 13117 28240 40705 5965 22317 18114 17487 27222 25358 17931 11026 6843 5908 6623 7240 10617 6524 7805 6101 9004 6908 5552 9128 5377 6187 6660 9005 8147 6375 8667 6560 5029 6163 6390 inositol-4-monophosphate 8254 9559 8740 6017 6405 8188 10913 8816 12517 5107 7376 4826 3962 5350 5973 8526 9647 3683 10015 13087 8325 6803 6925 5679 632 722 622 557 545 413 740 707 415 519 916 415 423 453 449 454 1748 292 202 421 443 403 640 543 4414 4543 5548 7370 4691 5553 4635 5790 6417 3620 6499 7070 3813 6190 5893 1950 7817 3534 5092 5451 6438 6454 7017 5490 ile-ile 27671 24560 44925 25683 24276 25559 29818 19116 40784 21335 27468 22246 20498 20475 27958 17342 29398 23086 27901 32047 29811 27090 49233 22199 463 567 395 822 799 445 863 597 750 620 620 563 315 864 377 515 613 392 627 512 482 258 382 780 5310 2789 4286 6450 3542 6152 3698 3350 5799 5236 3223 3920 5035 5998 3565 5404 5202 6061 5528 4572 6222 5887 2777 7709 hypoxanthine 4346 3683 15161 3949 4044 7210 3722 2678 8407 3027 4725 3507 3083 3161 7180 3126 3570 3490 8863 8051 8022 3846 24006 4350 1249 538 2447 1642 1857 1191 2557 1629 1496 1568 2148 1378 1457 1451 1055 2188 3140 892 121 1402 1438 2141 2854 1372 3501 3937 3600 6346 3986 3981 5493 5539 2586 4297 3921 4678 3166 4365 2498 2756 4038 4442 2992 4415 3348 4607 2620 7039 hypotaurine 5892 7896 10300 7324 4674 10427 5279 12473 7325 5699 6602 4624 4975 6024 7643 6017 5180 3962 7479 3106 6875 7386 9335 4041 343 628 1383 428 610 633 425 493 489 1036 598 675 737 948 480 379 607 555 460 381 691 612 848 654 792 825 726 809 570 666 726 862 950 731 630 581 613 681 1033 1146 817 900 624 1302 902 1090 1002 742 hydroquinone 9061 8077 6472 6060 6380 2799 7824 3419 8697 5684 1053 5846 6800 8329 4455 8164 8147 5496 6954 5451 6509 6773 4243 6110 2954 2742 2909 2299 2920 3409 3073 2602 2349 2137 3358 2792 2274 2989 2532 3154 4430 2230 2810 2707 3234 3392 2806 2302 1668 697 935 731 1175 1387 1188 963 762 773 1129 876 1432 750 1688 1483 1257 982 1003 1470 1120 1471 941 352 homoserine 2493 5299 4711 4844 2384 7039 1448 1881 6038 2223 6269 2604 4107 5720 3984 4382 1812 3651 5189 5701 3199 3912 7641 5533 440 3104 2699 944 1933 2385 349 1980 2392 2787 1501 1860 3206 2651 747 550 772 396 714 787 1403 1270 1477 2928 1825 600 713 663 1057 1112 1301 377 1741 1151 841 959 607 1259 1799 1980 759 1628 766 547 432 390 503 690 homoglutamine 124169 145678 154785 147832 113701 171488 202464 171544 176429 179623 173901 145437 132725 148747 184346 136695 156713 123217 183344 187387 167451 202308 160605 95218 2749 4045 3889 5706 3366 2178 2912 3910 6393 2302 2978 3779 3908 3319 4556 1457 1463 2235 3078 1269 1222 2416 1096 2253 851 1951 702 301 400 851 769 769 201 261 301 537 709 222 754 409 325 1309 1428 321 541 531 564 226 homocystine 4646 3625 4877 4309 3928 4596 5714 1741 4863 3286 4235 3445 2423 3547 2949 3495 5386 4388 4322 4501 4389 3823 3114 3614 1638 1465 1457 1077 682 1409 946 1825 954 1466 1427 809 882 1109 988 1931 1227 679 1044 905 1066 870 1197 937 401 425 472 737 806 1104 947 594 692 625 475 479 1372 622 784 689 840 645 711 1084 697 610 424 801 heptadecanoic acid 10660 13736 9196 4887 7524 11374 2998 11327 3389 7675 1682 7948 7688 11307 5020 8162 8908 10674 9433 5962 7450 8967 15126 7976 46124 34703 53664 36720 46400 38142 19136 21316 24786 27108 26794 21846 18630 28458 21010 34778 43990 22206 18246 19096 20623 17633 31580 17329 19482 13997 18603 16801 13319 12616 12098 12612 12299 11357 12292 12496 22322 10251 9205 14747 15617 12863 13502 13317 9113 11961 15288 1547 guanosine 6529 66814 211197 133233 107077 210434 93180 194902 170825 96235 126879 78588 86722 76234 156160 47579 88096 201941 153674 156268 170200 87521 147520 145966 2224 2243 514 1483 1784 1801 2301 1413 404 2739 2131 895 1892 874 1199 2148 3584 1685 1100 893 1159 2072 1527 3135 7076 1004 2245 8254 3415 21204 5184 1623 2822 3047 4738 12372 5022 8013 11781 16734 5062 28819 4280 6871 11965 13182 5865 12297 guanine 125739 62755 281408 132622 105624 185848 72435 178295 128459 88610 118177 66791 103407 61109 98246 38110 93930 238710 122350 144143 120550 76107 151952 143290 3054 3862 2533 2331 3024 2542 3301 1946 3925 4681 2429 3562 3829 3682 2238 3776 2531 2299 2192 1228 1878 3635 2673 2972 13992 12203 14536 12727 16199 12496 17947 12703 15204 22723 5928 16916 14812 11587 9228 13632 14794 14648 13958 20578 17512 18256 12061 15062 glycyl-proline 22292 12017 34956 21326 10755 10988 11699 24109 18291 12736 19566 11092 12650 9602 14436 7285 13035 29559 11976 23571 22841 13135 26480 22791 868 342 613 877 709 420 477 341 660 1158 594 506 665 768 1094 378 703 635 778 432 670 649 481 747 797 1161 1015 1370 1099 1087 946 1357 871 756 1160 1055 1068 957 796 958 1003 851 830 1273 994 1015 1079 1389 glycyl tyrosine 8495 4959 17486 7896 6780 12689 7256 17140 10681 6117 8519 5722 5559 5712 9075 4393 5258 11581 10308 8125 9282 4547 11479 9319 460 546 351 442 387 557 412 508 567 872 717 334 839 528 449 517 819 876 284 382 637 377 540 931 987 901 937 1292 1222 1093 1161 900 868 755 409 920 1075 1009 1168 1104 981 1021 954 1008 1208 1011 800 1028 glycolic acid 12433 11685 14493 8426 10415 9181 12674 3728 8195 7415 8000 9628 8760 7789 8394 7863 11647 10582 9462 9779 12829 5796 9575 9785 8675 4659 6839 19036 6275 5295 3724 7104 5203 8337 4296 5289 4313 1947 4329 6667 10283 2718 4877 9138 9901 4697 7229 4059 5597 3568 3177 2911 3875 2789 484 3696 2450 2214 6711 3611 3632 2148 6015 5417 3741 3249 4206 6074 4125 3983 5306 2327 glycine 301648 242700 501193 358781 118608 370652 255046 338131 362387 161232 277212 177996 171232 69145 167498 149719 280625 294390 328672 316780 280329 195267 330028 289034 36059 17956 22163 18762 23823 27055 13123 23645 18162 18465 151507 133498 17895 158486 15626 15193 13596 18484 26305 25420 30438 18407 42345 18444 44778 38412 35543 40530 46681 47138 40292 43566 33568 38866 32734 32519 49033 29765 74208 43930 37514 45412 40921 33879 42092 35652 37248 38980 glycerol-alpha-phosphate 21550 37172 26882 19295 35125 29454 36719 34727 26015 37039 31853 42518 30566 62453 47880 43689 26998 22813 22604 36039 30492 11962 39344 20644 1688 1231 1549 2276 1338 1154 930 1237 1724 1515 1556 1133 1302 1899 1750 1351 12967 1148 1252 1108 1394 1318 1288 1413 20647 64934 30236 34064 31238 16659 35399 49558 33284 25888 14058 26428 35612 4187 22102 29131 39341 23342 46163 32041 29494 30961 44282 19384 glycerol-3-galactoside 864173 1365683 1489113 849285 1877773 995135 1349442 1371586 1216760 1568002 1212406 1561896 1595622 3597964 3198661 2066528 1153265 846053 1310403 1350089 1141160 1575202 1324166 952921 2010386 1517039 1574394 1437728 1597233 1455911 1352567 1515865 1386692 2023426 1268840 1563629 1640621 2097711 1858878 1252434 840467 1676006 2449773 1502207 1523751 1623071 1651016 1520094 12865 114089 70336 96420 285581 13434 71729 60898 11422 122380 135322 128025 25736 57632 45273 49509 41958 74836 78779 9671 39105 121050 66925 29600 glycerol 2862180 2839479 2291504 2846278 3141665 2278009 2464858 3024766 1747632 2242246 2555859 2336830 2257977 2642891 2487758 2015336 2390162 3104613 2525063 2757139 2967340 2656956 2402365 2821710 1296222 1125796 1242543 994295 1063403 1109720 1014065 1048684 1000542 1557473 1010620 1210479 1265647 1525801 1272369 1200710 757309 946783 1377952 1030096 1910976 1190096 1284947 1236170 299187 320258 395543 240090 313185 281896 474448 297470 943649 421592 489360 513344 506039 314609 391567 327863 358347 406809 335827 246145 369511 446581 443181 499070 glyceric acid 475930 416233 651620 432254 527694 541310 404700 683327 604962 257107 337896 355143 259362 392610 413216 328727 420939 437215 480130 476571 472189 586264 684530 494795 276313 190401 232436 215768 187210 207892 196060 187962 198248 238740 137399 184612 207356 232859 216500 113134 68654 210130 274157 177511 168679 145282 156982 182638 92912 63800 137506 88971 123704 72825 106368 58823 83931 75935 76825 64767 29479 50013 78923 85866 91286 80917 104773 108008 64659 62851 74098 69986 glutaric acid 1998 2055 1540 1346 1200 1034 1570 1547 1384 1108 1246 1247 1401 1359 1502 1595 1817 565 724 1463 1499 1670 1814 620 599 553 833 671 715 635 520 752 413 1068 491 430 561 800 512 615 919 456 546 540 1150 452 826 577 1197 789 964 641 1041 958 1070 808 1114 641 1075 802 1158 856 1116 1416 1007 824 960 1335 896 1150 929 602 glutamine 5757521 4359130 6184453 7387749 3329996 6740036 7273076 2820886 7030809 7142080 6171778 7641973 4869266 4664113 6288808 5504938 5473041 4973740 8364019 8154227 6811077 4663827 5004839 4816911 27735 59329 57383 29134 39895 40734 28426 27870 72303 24663 57854 41494 99059 66770 54585 39875 60238 52305 15562 10484 28371 27203 37794 97801 259458 226513 196397 255673 248974 245327 229537 175814 423292 334722 108547 225609 125250 218772 285818 358164 221105 396775 273537 183525 186152 149850 120442 536731 glutamic acid 237108 258772 366130 410443 265066 777292 246710 55223 564607 276997 393735 237319 162386 330763 318662 299192 177170 240941 351021 449410 374067 216253 673707 277125 7641 104683 91549 1964 64211 83526 6713 38465 122120 92562 78185 93300 150928 129317 17146 14681 95043 12483 6550 2298 61858 23307 66811 117363 17425 17058 15099 8588 29294 15657 23792 11601 15848 21073 18699 22419 10639 24556 31997 21607 13034 27077 19240 3372 4817 8756 8042 13423 glucuronic acid 43517 23683 64611 40897 28819 45391 30897 57175 48864 23551 36914 21720 29067 18046 32179 16313 38193 57204 42221 41733 40946 27429 26194 39660 2742 2415 2152 1689 2058 1735 1973 1634 1260 2624 1766 1852 1935 2713 2365 1784 1734 2169 2995 2239 2520 1995 2600 2084 7620 7072 8463 2657 5607 6024 7889 6730 8423 5950 6579 8755 5282 4931 7627 8114 7550 7457 6154 9772 6954 7626 7112 9999 glucose-6-phosphate 3478 3078 3571 3079 1407 1641 3566 6093 4508 2306 2652 2167 1460 1313 2805 2958 2864 6477 2624 5181 2522 3881 1779 1988 586 409 987 836 761 517 507 932 576 860 434 336 460 558 668 763 825 439 904 657 593 1049 566 472 9247 36942 19886 29138 27095 14173 18617 29338 31643 8825 4253 4998 24255 5264 12644 15007 28828 13611 24926 9506 10062 17266 20713 6900 glucose-1-phosphate 182766 201413 57718 16402 147769 64341 187661 210462 168641 167758 234113 206879 128452 239117 271135 193726 79974 137800 41939 138745 126659 227216 212655 133873 61445 43460 75536 51072 40490 47710 44443 46162 38443 52633 34251 41679 55579 97407 62565 46028 29890 54214 57705 51635 57220 43281 50555 47400 2887 13227 24448 13838 12233 18198 22449 17795 18924 16182 27752 19956 17464 17283 12142 28104 24535 22140 23001 3315 17360 17539 17816 15324 glucose 5202786 4617531 4480042 4484227 4617701 3823668 4558131 3828104 3522663 4324514 4130699 4305362 4373279 4267281 2037035 3920279 3953860 4145164 2197276 2944893 4318299 5355652 4390717 4747779 568846 372294 365544 480362 294794 342664 416582 400254 355345 425061 301157 338594 415455 448441 576403 224119 139734 464859 574147 341992 438686 284121 301678 437630 471162 456045 431496 498709 282456 441671 353835 412494 489225 351103 501195 473117 442284 522240 342686 437638 448463 427215 400320 408733 488452 433047 477214 527078 gluconic acid lactone 119302 54148 102605 93333 16680 89969 41571 70852 163455 43938 73771 51831 43147 24002 48705 34178 112192 71302 69979 66062 66944 70051 68207 67907 3527 2972 2894 2835 3121 2649 2885 2546 2646 5177 2499 3329 3088 3586 3041 3817 1949 3830 29334 3042 24746 3247 3637 4168 1315 1373 1616 1251 1265 1328 1154 1474 1610 945 1360 1503 1661 1304 1737 1860 1477 1447 1779 1355 1399 1582 1326 1828 gluconic acid 865114 578007 1107838 741674 486097 801045 805738 1200189 1038159 368084 547043 363278 379511 191128 475599 350603 781747 516572 540466 604210 550220 552230 853859 683265 2956 5168 2950 4987 1945 2953 3566 3243 299 2309 3012 1004 2369 2748 2625 1711 1149 2247 3577 1370 1874 2277 2693 2612 983 3998 4496 3808 3590 2472 7359 1668 2845 992 3454 2789 2411 1399 789 2841 2238 1898 2669 7625 2746 343 3120 6816 glucoheptulose 33977 46395 27990 44850 29745 10311 25398 31112 58722 39858 36998 31104 41266 59259 53638 14970 57474 41725 57481 33222 30703 52172 27181 46356 29354 3794 30404 17872 46514 45321 27342 33370 33098 27847 32616 38942 11347 43945 46736 44383 34667 38978 44755 44712 57785 33165 52629 31254 11682 7055 11271 14178 10161 6342 9499 6808 5177 7313 9640 12347 2228 8854 6440 10655 10210 6353 1814 9480 13193 7192 7190 11285 galacturonic acid 16635 9772 21546 17073 13430 45604 15226 25273 20711 6318 10698 8872 12436 9612 15656 8553 19304 23353 19710 16166 18296 11220 25564 9815 524 352 684 522 490 315 539 1634 416 531 436 395 349 513 413 252 906 395 1653 293 1562 343 316 375 1915 1684 2727 1272 1239 2715 2806 2324 2284 1545 2188 2107 2000 1028 2003 2722 2403 2010 2081 9772 2366 2326 2319 9999 galactose-6-phosphate 492 1129 1763 596 592 944 658 1381 586 558 604 366 662 413 381 477 580 494 656 1152 570 663 1621 1022 160 122 224 119 124 158 166 196 63 103 233 124 114 170 135 255 425 126 125 154 218 157 232 172 1069 957 1523 1586 1186 1416 1366 1375 731 518 1023 1264 696 1969 667 1488 1410 2011 722 1048 1149 1185 1091 429 galactonic acid 97752 129113 153649 133293 108651 140391 123098 256897 123515 76563 106432 90511 90873 89813 143658 114099 178516 138543 126813 169929 170938 93044 145227 93269 7381 1180 1539 10184 9865 7977 9170 9337 7737 8913 8530 8457 7952 11575 6980 4088 6174 6166 11138 402 6833 8006 7281 2331 23183 22576 23560 28905 16615 20690 18104 22012 24897 14564 17996 21347 9105 17346 18171 21598 23201 23325 19375 19366 19499 20791 23743 24278 galactinol 3037921 4499636 4205952 3210145 4797640 4432817 3780531 5200408 4455796 3882390 4158367 4322744 3740590 7165557 6278927 4570883 3446648 2648824 4693550 5221657 4039252 4889150 6818868 2997581 3532199 3266898 3582428 2871142 3211398 2943959 2524981 2993435 2700517 3516617 2338058 2707092 2845770 4031187 3037201 2167321 1431082 2916136 3778545 2638948 2793639 2722291 2904248 2624065 357096 366417 647457 478140 273517 375014 352271 366788 472274 284103 313529 362512 347038 359931 261559 404220 410785 374703 405245 387042 427082 403934 360455 424970 fumaric acid 3527036 3260992 6734439 2200799 7952906 901377 3621940 5557725 2565100 11293468 5611191 13268651 14340221 5667117 9656722 14770495 6884200 3754672 3275112 3300842 3122992 4223482 4375973 3464381 7839436 10288592 7684696 10836368 10928682 11417010 11157717 11543440 12003245 6748403 12508633 11282636 9948589 3889353 9647172 13042434 14791828 11485364 7397299 12416842 8326421 11483340 9013825 10378773 267554 333019 256128 282839 289989 259196 195783 287669 196168 259335 217774 248225 194179 236642 223509 207672 193735 308846 202053 311482 231487 189482 225969 191812 fucose 54347 63850 46443 63355 58878 71113 41021 80529 30384 53244 63644 58700 54211 67252 84572 60026 71591 43018 80512 80456 60858 69175 71083 64014 56414 43385 55480 10827 52181 52892 39121 50127 44129 52228 40401 47698 48143 75479 57550 32643 34491 51552 61800 51075 52690 40363 52021 41638 14756 12224 14503 14604 13339 12660 13580 14813 14356 10279 11978 12998 13539 11755 11970 12701 15923 12575 10669 12382 12157 12509 13460 11769 fructose-6-phosphate 1942 1889 1831 1754 1303 1462 1974 2236 1701 1651 1934 1902 1041 1578 1390 2085 1816 2492 1495 2593 1362 2005 1178 1022 759 693 1020 971 699 799 597 1004 801 782 626 551 708 939 795 660 1304 638 520 587 712 741 800 624 7262 13575 7534 11139 8907 5735 8761 13741 12059 6430 5464 5773 10234 8585 6093 7504 7804 7342 12125 8796 6680 8709 9301 3244 fructose 6657166 5530915 3274185 5260380 3982567 2783543 4885022 4158617 3392540 4117275 4312178 3744360 4178149 3195490 2544833 2682966 6354418 4352983 3836637 3553336 5182534 6289828 2959222 4007924 1539084 737250 850357 1209877 775130 808907 1086190 1075830 834652 947306 648885 740199 927038 1101118 1517724 698499 397707 1265818 953919 1176187 1433869 710119 973899 1445049 532144 637781 535916 571175 459424 417685 450329 528738 410272 511907 590961 474933 805183 957010 511715 440960 589880 451612 828311 538940 596584 585512 670660 741465 ferulic acid 1296 1779 2356 1907 2116 2717 1656 2891 2708 1555 1808 1270 1522 1358 1301 1259 2681 1454 2198 2752 1016 1597 1984 1792 451 317 379 327 324 322 472 381 419 515 324 439 386 501 403 564 615 524 532 373 560 397 647 273 576 291 330 368 434 708 464 346 331 276 217 308 563 384 423 387 428 264 395 703 410 503 304 371 ethanolamine 7268552 10036278 1356787 6180186 8336157 5579859 8353337 5251563 5850926 7305107 8259476 7785494 8189923 10093487 7428493 8241375 8292184 7605219 4055524 2666190 7371452 8517031 6352108 8208051 3800609 3390138 4062137 3378432 3015144 3565899 2956162 3154855 2990701 4527034 2605711 3295380 3326616 4653165 3584185 3016619 1649837 3352474 4237652 3241111 3657991 3435923 3871051 3283064 2287079 2315889 2322907 2344456 2156798 1748019 2442196 2460029 2269977 2485472 2574001 2385224 2756887 2362116 2047460 2079755 2492110 1777203 2412209 2283371 2423429 2827924 2659458 2080210 erythrose 2907 5397 4130 2843 4164 3289 3438 8869 1497 2356 2763 2899 2982 4844 11226 3960 3256 2478 3371 3837 3493 3709 4123 4746 3176 1869 2490 2509 1769 2381 2206 2760 2141 2810 1936 2327 2009 2700 1919 1868 1227 2146 2401 1699 2082 1791 1844 2002 426 272 464 227 561 550 377 477 201 228 265 301 312 674 681 526 303 338 312 707 348 413 312 246 erythronic acid lactone isomer 14080 28009 23791 15888 25669 17405 17527 21847 21686 23521 20148 26053 19973 46525 30088 28327 17891 12615 18066 27171 18780 28366 33074 15327 13017 13766 12616 12508 12158 6382 12798 7875 15826 15021 12536 14348 3270 9468 10813 7129 7937 11752 11284 9284 9850 10132 7964 3557 1421 979 1321 926 1363 934 1427 1140 570 865 962 1094 1214 932 1265 1297 947 864 887 1229 797 967 1089 599 erythronic acid 17377 12277 15043 14975 16171 15648 20076 21340 28163 13852 15987 14345 11278 9706 15695 11510 12927 16862 17905 12026 19764 7607 9533 15304 26651 27035 45471 30160 7078 16195 29671 25382 21672 31808 18170 23160 33362 54983 35128 20728 6611 28780 33741 24909 29090 25349 20500 28361 3879 1999 5204 5168 2972 3164 4007 4550 5870 3239 4449 5413 3291 5358 3894 5484 5446 4300 7151 4633 4490 4727 4947 4077 erythritol 31883 48606 54354 40272 39530 35943 46478 30013 52491 42398 33565 32828 16197 44235 52804 41339 57224 37847 45943 31714 34992 52182 49208 12267 29132 21890 19803 15419 29589 21927 23498 18742 24713 34064 24088 22867 21575 5749 24213 20081 13036 21722 43508 34718 32045 27961 27664 34042 1924 1930 2531 1370 1666 1256 1766 1963 1498 1788 2163 2445 1407 1496 1691 1552 1750 1755 2606 1937 1728 2171 1962 1056 ecosanol 6061 15368 4728 5956 13189 2042 7210 4140 4517 11858 4217 8146 13560 18872 17534 8065 6979 5590 2917 2927 19760 8609 15029 8187 11226 6056 240489 7427 6314 5653 5386 5354 6919 7779 4116 7167 5489 10911 8912 4293 2722 6279 10445 7524 6575 7888 7862 7793 998 969 781 562 2009 967 919 1401 747 909 1149 687 17915 959 1868 1202 15664 747 1643 1608 774 1518 1119 635 dihydroxymalonic acid 2070 11883 11552 2583 6198 8313 3970 6161 12927 2982 2365 6873 12971 13720 16870 4270 5537 1803 9191 10382 4075 5133 13248 14688 600 1095 827 915 1156 742 886 699 857 648 945 825 749 978 1009 891 1315 761 808 836 935 1045 941 649 113 79 200 148 142 247 224 133 173 126 108 50 272 113 191 211 177 100 259 296 230 141 67 78 dihydroxyacetone 10777 14873 19519 7530 16179 18078 10328 22892 4842 9772 8727 11546 988 14606 8699 5458 6392 10614 9993 10748 11026 9808 21209 12221 13296 4405 11310 6257 17688 11737 9429 5865 2042 10280 9425 5429 9583 10993 9436 12848 10026 14396 12961 8549 4106 12315 16969 908 3995 2921 4067 2790 5667 3932 4001 3647 2892 3406 4743 3548 6128 2726 3540 4037 5071 4458 2884 4385 4175 4066 3120 1004 dehydroascorbic acid 215170 345630 807236 323857 604891 640840 576571 1048935 561448 683687 517756 369718 388029 465317 798290 255565 488571 231294 669385 704614 465586 392760 314732 219815 108791 127337 175228 182213 171531 91359 182617 181507 136818 126510 127659 105180 105588 167437 127011 75932 101349 102587 185204 104420 116171 63768 117034 98476 15625 71790 15755 58117 19587 22744 54973 63842 53911 55833 68956 56313 79936 96439 34559 25414 63919 29760 86596 62785 66514 21538 69275 74374 cytidine 6600 5008 13771 7961 8348 11122 6370 14756 8142 4013 6353 4509 3369 4469 9352 3035 6042 7293 8106 8394 8038 4266 5741 4825 257 352 372 316 299 364 302 475 385 252 519 307 250 528 301 182 750 266 255 351 346 326 549 352 478 245 472 504 377 802 377 342 312 325 543 379 730 353 1095 543 548 343 612 588 410 751 315 1154 cyanoalanine 7964 11546 7403 18879 3254 27014 8069 5952 23700 19085 35302 11445 13830 14256 9064 31752 6744 15558 29902 43450 15981 12113 25083 12767 3303 3083 3772 3221 2602 2113 2849 1952 4156 3398 2175 3691 4277 3667 1167 1721 1784 3012 830 3021 3367 1417 3081 6239 4980 3166 3637 1875 4869 3659 3769 782 5743 1711 3605 1762 5417 2928 5635 4045 2897 4093 1269 1293 1523 1624 2815 4407 coniferin 3274 2447 2235 1966 2513 1839 496 1771 2078 1561 2665 1811 1566 2155 2388 3322 2012 1263 2140 2320 1917 1577 1728 1754 234 357 419 302 297 325 316 298 237 442 261 302 325 423 289 379 440 209 195 271 336 267 268 212 4207 4935 5050 6864 7213 4937 1751 3981 1095 5832 5468 11009 11858 4709 5090 2880 7725 3918 2545 2171 4758 5722 8851 5662 conduritol-beta-expoxide 2356 3502 4325 2307 2398 3117 3543 2802 3677 2266 2964 2418 1949 2805 3510 2949 3032 2451 2262 3892 2829 2065 3693 970 673 726 594 572 610 618 593 616 611 667 545 651 446 850 598 411 358 584 684 558 770 483 621 534 595 501 1005 789 733 1041 893 290 1092 773 543 829 1231 262 660 747 1139 956 958 891 868 1029 663 590 citrulline 92021 58028 129006 84303 60904 165458 57781 58014 106275 62034 95901 60992 71479 61091 80735 44566 56481 129522 116414 140490 90228 62644 125986 108836 7779 10055 9165 6036 6779 8205 7514 5799 3816 8859 8596 6841 8054 7033 6599 5696 7455 7712 8072 4844 6495 7218 7125 10905 6710 9018 9303 10044 9712 8619 11524 10860 8945 11097 7542 6264 4257 1958 9877 9153 7898 10128 9900 10648 6492 4786 6547 18332 citric acid 6781975 8312695 3826944 7146737 9585744 4534800 7705780 4228342 4706287 5078576 6810097 5407716 5167890 6648955 2430770 6753801 6861043 6240567 3459838 3206808 8136131 9322756 5085822 7870388 1041755 1427814 1559312 1768952 1911918 910927 2686766 1745487 1531885 1666100 2151688 1393269 1305016 1296719 1023914 2044437 2955448 947226 2124410 1470217 1297995 1995468 2331975 1399361 651601 676616 548485 650032 592780 601886 608014 677754 455309 719568 623258 545682 560657 460838 571908 546133 548439 735541 635992 785808 592092 495965 641836 580660 citramalic acid 8689 12251 13339 7994 12508 8329 9183 9013 10110 9040 7966 10584 8765 15243 14814 13549 10548 7943 8628 8875 9367 13937 11040 9524 10384 3481 8238 9891 11285 8558 10031 9310 9687 11995 11029 10802 11100 2522 12042 9684 9877 9988 14436 14061 15047 12065 11588 10619 1468 1314 1108 1145 1111 1073 1275 1032 1342 1363 1322 1660 1174 1108 1300 1863 947 1392 1401 1011 875 1072 1086 721 cis-sinapinic acid 2669 6124 5813 5029 8401 9246 4748 9053 6339 4786 5743 4984 2154 5403 6421 4577 4704 4833 10965 13005 12044 8415 5925 5683 8692 853 1597 3605 9157 6542 5740 2258 5211 7980 2468 2110 16619 8394 8413 1115 5466 10692 6031 3258 7174 2025 2860 15244 187 157 156 225 191 254 265 187 137 153 164 93 206 126 198 180 196 171 189 303 201 187 181 60 cholesterol 10609 21770 24739 2303 20417 25955 14752 2245 2304 7319 13633 7825 7921 25508 20706 6417 15597 19012 11288 14343 8806 21910 28498 4569 2583 922 7313 5694 3566 5908 6821 5681 3887 1273 8081 3388 346 7648 1575 4357 9339 1940 5982 2138 6377 1535 6084 5000 2890 2038 2534 7847 1858 3860 4695 2645 5284 3406 4588 2071 3744 3205 1877 4344 6210 1580 3808 7392 8131 3965 6363 4704 cerotinic acid 2713 4596 3770 2892 4940 2859 3992 2609 2696 4650 2930 1832 3803 6334 4506 3042 4196 3178 4091 4517 3198 5190 4897 3811 1288 2135 2005 1348 1670 1067 1579 388 1386 2315 2245 1229 1416 718 1255 1859 5236 761 423 1104 1513 1133 1869 1384 1236 1337 1717 1948 1765 2778 1886 1617 1246 1309 1965 2045 2519 1506 2330 1421 1566 1493 1174 1962 1791 1628 1842 994 cadaverine 28528 11917 30339 10427 14466 16957 11298 20103 128491 42049 18087 41623 10239 12803 49323 13251 21278 31484 29310 21273 22136 13936 10160 15596 4665 9081 10914 12956 6588 3251 15751 14346 7446 12356 10320 6194 6119 9627 6046 7401 10032 2894 9652 4139 4991 1895 7437 4086 1698 822 1258 1324 1453 1804 1283 1243 1489 1325 2353 2555 1547 1159 1509 1518 2028 1867 1789 1257 2012 1846 865 583 butyrolactam 404420 159259 189945 435998 213137 165838 317584 548596 157729 308680 228622 287965 125931 166936 177808 139925 254198 253722 174904 181674 358536 305357 159511 152657 93991 53633 77892 89596 58091 65637 64302 57763 70520 99209 36667 77451 83428 105391 94688 81864 15940 84695 75783 68940 72131 67238 66183 72966 57624 42227 38790 34766 41452 40837 33354 43518 30370 36751 38695 35329 47480 39723 17304 40212 38503 38032 31632 41849 40182 35572 36834 24693 butylamine 37472 43630 25503 29681 39117 18940 44770 88245 22100 27514 17936 26994 37536 49010 46569 43689 40861 28871 29445 28586 33903 42557 24703 32432 57498 31020 17396 59890 34455 26224 48233 25783 10851 30284 39315 28613 12708 30257 48113 67528 58981 45866 48465 58756 37767 45123 42005 26399 31813 23854 31341 27223 29965 40414 28664 33771 12237 22961 33084 23049 42564 20819 34419 38716 33077 26472 23465 47159 35659 34309 26057 5479 biuret 4006 2941 3071 2164 2229 3258 4160 2173 3672 3547 3100 3523 2946 2594 2780 3892 3299 3019 4021 3803 4241 1738 2078 3110 901 677 1390 885 658 845 557 747 600 882 758 564 984 1363 1094 1052 1149 1231 495 825 979 904 1168 916 7288 2671 2844 3458 7942 3641 2172 2847 8853 8033 4247 2971 9833 2120 1714 3473 12484 2799 3108 1156 2372 1915 3408 3878 biphenyl 4549 3551 10377 4923 5489 13539 4141 1568 8625 3711 3440 2637 2728 1764 938 2357 4681 7214 10429 6952 6876 3431 6693 5305 587 474 519 686 559 297 412 573 249 471 657 456 368 893 84 242 796 271 470 271 572 546 519 342 891 432 638 304 568 465 617 578 311 355 634 438 576 460 883 757 523 545 341 544 593 500 409 229 beta-sitosterol 367926 416906 534813 369651 407173 486224 333366 592306 519663 338910 408038 342753 246499 556678 538996 360135 412139 342830 503381 434159 434663 422252 496115 376797 205686 149893 232601 185835 184914 176324 248002 217229 170371 223895 230729 122925 152163 223646 173052 182734 306780 146615 195175 190925 210052 167879 199357 109570 195697 139954 196713 175518 224656 218213 193268 171773 167170 131213 236871 221959 223386 270563 207275 269662 214405 164764 175784 259188 311614 321383 245160 134588 beta-mannosylglycerate 29138 14462 50036 27836 24413 32758 18769 43289 35822 17800 26536 14177 18356 12967 21096 9816 21142 41038 31447 29776 31296 16086 24006 27865 8559 7432 8620 7440 9271 8986 8929 8910 6164 10711 7617 3964 8583 12393 3022 8898 8341 9378 11991 11131 12578 9988 12039 7198 2140 1981 605 2602 450 2453 1607 738 1458 467 1872 589 1981 1141 644 2272 2425 1456 1583 2745 1472 2658 551 2476 beta-glycerolphosphate 4378 5487 3318 2824 3134 3863 3347 5395 3214 807 2607 7219 3640 5529 2531 6191 2934 3926 2636 4933 3581 7040 7491 1240 1645 1561 1772 1389 1343 1374 1228 1299 1224 1693 1149 1508 1252 1597 1316 1127 3804 1408 1750 1457 1667 1419 1599 1127 725 3213 3902 4350 565 2041 2618 1529 2994 2177 1598 1839 738 3848 1978 2011 3033 1452 2565 4558 3491 2853 3940 2389 beta-gentiobiose 71187 90960 142818 89077 98289 52259 55168 146068 153642 62899 84721 77513 72079 63948 103685 45343 29556 86160 99846 101007 97427 108522 84630 98139 8046 3765 5039 5069 8452 4482 6245 4027 5411 9740 5853 4373 7648 4123 5914 5417 7447 7737 10280 4110 5156 6057 5893 10823 4340 4374 4712 5323 3823 5003 4939 3818 4184 3727 5546 5463 5370 5540 4000 4494 4928 4250 4198 4546 5799 5348 4466 5965 beta-alanine 24584 61134 98926 16434 24081 73265 37637 91956 83226 19380 29590 24275 56236 43956 78614 36903 53396 29008 95143 93579 27228 43820 77278 65669 8516 5747 8851 6828 5812 8552 5967 2333 5149 9900 4444 6226 4474 8334 6937 939 3387 7309 6375 7421 9660 5464 9338 5347 16009 17256 10391 13624 13783 20459 12604 17556 12623 12038 10447 8932 7022 12971 7735 11013 12138 19113 1890 18688 12060 10987 12400 17005 azelaic acid 2507 2897 5990 2175 2093 3210 2582 2582 1975 2273 2625 2395 2529 2593 3454 2098 2111 1825 2453 4113 1868 2627 10119 2914 1329 903 1370 1823 1414 1063 1203 1230 890 1343 1024 911 1508 2357 2247 865 1803 1925 2700 2185 2056 1353 1230 1492 2502 959 2497 569 2113 2092 1829 1680 1865 1521 1739 550 1962 1430 1507 730 2237 1861 2088 1760 653 594 1762 1270 aspartic acid 2106616 2227545 3476554 2322128 1493383 3908151 2757994 1899503 4219017 2589544 4652262 2389178 2586848 3162440 3070270 3045539 2277293 2563730 5188783 5995770 3437030 2339729 3813891 2284728 194926 361440 432208 199406 361920 330244 217891 285553 484571 323050 451691 407919 597015 491147 249316 135990 388028 286302 231489 138678 300019 244150 314384 573299 372140 333723 290453 279906 386696 368973 449887 356582 372172 407328 191529 375218 280564 286827 307943 275616 296815 334947 259838 201399 223134 235531 228249 271411 asparagine 735966 409207 1054524 899805 167163 1448121 1058121 845836 1248668 682577 888678 859071 500385 394611 663807 764502 519309 759153 1352389 1701912 972682 548832 996675 489202 4118 10380 10344 3850 6623 9526 3894 6592 6910 10799 6388 11594 14135 7284 4614 4666 6926 4556 6435 4324 9219 4950 5047 13545 20439 14019 8518 14841 11166 18570 16763 14531 20951 16207 11617 9727 12924 15467 16055 13961 11830 25634 9117 11920 15416 9392 9875 27548 ascorbic acid 16375 11274 30718 19915 16698 28240 28752 46505 26624 15843 25638 13723 11284 13476 27282 12580 24553 20532 30202 38338 27700 17787 27837 12281 1812 2843 1698 2064 420 1688 2238 2870 2281 2040 2156 2056 2995 4424 3693 1694 2787 3033 3343 1562 2846 2108 1324 2180 3754 1325 1530 1614 727 3048 2097 1608 1648 674 2167 1349 1590 1471 2700 2445 2123 2403 1501 3149 1689 1634 2155 1607 arabitol 13376 14017 39429 22397 17397 22178 29390 26263 32010 19740 19621 20932 17942 19545 25553 16365 29201 24356 26302 24963 8655 23147 14570 23628 5453 4066 4460 4932 5647 4680 1737 2429 4307 5405 5270 5426 3190 1035 4910 6088 2686 5426 6991 2369 4450 3641 6375 3160 3432 3321 2686 3194 2230 1525 2990 3560 2375 2180 2718 3709 4101 3642 1985 3261 3726 3209 2052 1491 2833 3775 3672 3129 aminomalonate 12152 14462 30231 15747 9499 24178 17177 5522 19858 6693 14162 12421 10558 7211 5699 7663 17709 16860 11819 22098 19106 12792 20910 17242 684 1438 1329 1410 1577 1203 1238 1307 1530 1572 659 1567 1079 1597 1276 697 1478 1279 1572 1240 1507 1500 715 915 865 481 492 446 730 634 444 594 368 426 517 461 958 536 612 1421 651 636 548 650 614 569 332 351 alpha-ketoglutarate 17731 39247 10145 25990 34519 20894 33357 19860 14872 25641 16489 22190 15919 44815 42884 34072 26189 6225 10470 9797 11925 24277 10754 8056 7828 9195 9401 10658 8255 6850 16779 9140 12949 9483 10673 9243 9654 17581 8419 13059 5787 11670 11335 6357 7206 9276 3005 6938 10527 28179 3206 35580 3277 832 30977 39180 10134 21908 38961 11996 16173 30082 21315 27381 20647 12013 40415 25664 23079 45675 31259 5390 alpha-aminoadipic acid 8119 9928 26710 13930 4584 12225 13239 7789 17903 11543 12120 6858 10695 4810 11785 8531 13999 14106 18451 18514 12830 12661 14075 15992 312 788 465 260 308 229 137 334 284 263 252 178 223 397 336 390 251 396 180 442 319 248 275 265 196 68 203 968 185 1360 1209 222 1644 1003 1379 131 1287 271 421 272 1237 589 1059 1217 976 257 167 1899 allantoic acid 56058 42674 53531 53733 44224 65210 75751 44463 74583 42850 59698 33078 48401 23936 62822 31193 49552 61790 102770 72193 45258 52922 86146 54167 11848 8697 8809 11141 8112 8110 10731 9535 8945 9695 8652 8770 9217 11273 10616 6551 5454 9407 14289 8024 9333 7096 7606 9759 6647 10064 4816 8020 4571 20630 6103 9879 8192 6216 3261 9583 15260 6713 5389 4813 8086 9018 9967 10776 8436 5615 6175 20394 alanine 1693498 1958038 1736889 2524160 1713418 2864536 1097602 1541691 2970917 1775656 2364960 1031636 1489862 1251415 1309208 1414715 1259882 2087067 2460939 2441830 2084536 1445175 2227970 2455442 390516 358115 403134 312122 175562 375294 245522 273971 348361 126718 256630 333637 443909 517831 384407 279338 121516 338330 430464 231754 376465 317502 325983 534359 695605 547941 429951 407551 753309 1047631 433297 376785 445725 544257 410908 258249 337375 613105 963186 533415 406772 861982 398855 469621 377410 353285 372658 557322 agmatine 3086 3915 5038 4168 2652 6058 6701 2911 5124 8690 7786 9657 8484 10843 15441 5628 2428 4874 9552 11409 3340 3785 1147 2843 411 594 1372 351 198 362 147 146 206 286 192 176 283 1146 159 229 209 144 745 119 123 145 151 93 177 120 203 173 251 408 313 230 155 93 170 120 193 130 449 202 247 299 192 239 266 227 178 114 adipic acid 7435 9459 9926 7393 6513 8369 8748 7073 9765 8128 9068 7161 7846 9542 9784 8285 11364 7592 9847 9359 7967 10853 7478 6637 4917 2514 4676 3000 5570 3005 3325 6411 2892 9079 3553 2616 3006 5386 5059 3388 7713 3291 3061 2151 7620 3259 4161 2687 7272 5104 6853 3283 3823 4282 5058 5054 1603 3825 8593 7459 5467 4177 5212 6370 4986 3298 7585 5530 5269 5085 5429 4239 adenosine 469229 386908 854361 538957 502817 777377 462503 804510 685211 412893 523829 370889 389915 425430 666271 313112 437094 721913 694017 706123 646433 451556 591817 531069 132101 121628 134457 107813 105909 122546 113115 114269 98643 148885 86884 101945 125847 178907 140596 110425 69677 129599 149974 106954 113006 108705 109767 124720 24200 21792 22824 27714 1168 42096 16739 15058 17489 18100 18693 32683 9113 23325 40081 53392 17423 46360 9779 36308 30507 25621 17528 36330 adenine 199326 118913 386724 187637 162206 264769 145370 250119 252873 135912 153524 112327 137634 102874 196063 82848 164335 264267 207529 218079 189804 145680 219635 221622 16559 25038 16966 11580 17714 17518 18293 11515 20967 39694 17236 27092 32316 21171 21739 18716 10530 26744 22867 9135 13956 19584 25146 37935 102457 76839 76558 96537 67608 107130 105314 81968 86358 101193 42842 105567 105437 90722 60140 78171 102059 112777 108434 8861 107482 107791 83090 116301 aconitic acid 25636 24120 35266 27578 37347 31406 31546 35332 37926 19629 28204 21273 16327 19044 28139 20191 31385 27726 34201 36145 35020 40525 30731 26455 5958 5881 8060 6960 4406 5182 8812 1887 889 5227 8123 6181 7864 7874 7154 12630 7141 6443 9218 9077 9936 6084 12625 6693 5768 4541 4380 3223 3387 4004 6246 5354 5624 6165 1777 397 5683 3699 3901 4254 5952 4628 5347 5313 4379 2388 4194 3683 6-deoxyglucose 55597 92983 103184 110425 93528 115234 46497 152822 150880 79637 107847 33742 24395 73496 40035 78171 123553 116298 134666 128429 109047 30496 101788 111162 44560 34043 35907 28995 29488 34959 27660 20243 28325 36872 19485 17022 25352 38532 28786 23201 18450 28241 37945 29748 39371 30228 31560 27460 19943 20982 23121 21375 18659 18630 18798 12505 21052 16335 21906 21481 18541 19982 20650 21615 21384 18572 16738 20787 21810 21729 23444 23651 6-deoxyglucitol 122323 13483 63217 160281 76219 184505 156493 76832 49485 17758 62740 162621 23016 105822 131133 118295 121306 102954 69024 189162 29825 104758 117411 102378 64351 24277 49961 58251 45256 61235 34390 64027 41454 46538 30677 10224 44243 84749 60639 17467 12813 57100 83008 43792 50634 28288 29380 31482 11633 10324 10024 4949 8210 9145 9547 9534 5940 3509 7689 8808 9775 7346 9649 10386 3732 4356 10618 9134 10271 9387 10040 7619 5'-deoxy-5'-methylthioadenosine 2376 2588 2429 2469 2843 1074 3820 3979 9069 2933 3641 3212 1736 2954 2771 3077 2381 1789 2692 3169 3136 2824 1966 1822 453 291 578 156 335 340 360 429 510 416 229 438 418 565 322 271 375 375 514 246 270 507 476 558 1091 624 824 762 817 579 560 738 728 825 361 654 622 668 961 727 725 378 1552 723 611 573 463 109 4-hydroxybutyric acid 24429 16539 31210 19694 20238 20178 18162 25841 24889 11812 14869 8501 14152 6437 13811 9703 17512 21663 18944 18808 19735 2253 20609 21323 1183 1419 1253 1186 958 1445 1187 1130 1224 1318 604 1313 1386 1466 1241 1535 1411 1222 1529 1017 1462 1129 1640 1293 483 325 330 432 346 325 407 302 264 263 314 355 414 275 423 426 622 355 387 437 289 390 340 801 4-hydroxybenzoate 27387 28047 25832 25740 26149 20490 25097 22898 17191 25910 23130 23141 10015 19637 26899 27158 14900 27783 22388 18576 24866 23587 19183 25995 3658 2962 4036 3559 3872 3763 3818 3560 3414 4225 3562 3958 3628 4566 4041 5034 4765 1562 3511 3557 4478 3914 4402 3683 3508 2529 3882 2206 334 2999 2504 2921 2085 2297 3602 1400 4293 2673 2937 262 3165 2530 2907 1695 2809 2033 3098 1460 4-aminobutyric acid 1571428 1904080 2000021 1253640 1737356 1886245 1964578 2129456 1149364 1677155 2136222 1950080 1851782 2508968 2331271 1835811 1956217 1756356 2421099 2690089 1566494 2040890 2000899 2160102 788955 557009 711346 780113 647939 560839 591285 623125 710746 938431 555077 753814 975204 1064180 921257 562726 235287 838617 891264 558930 596139 574535 574261 747452 499895 583593 457914 488961 495401 450479 500596 544397 440965 511783 467504 508389 533184 541002 407707 438791 489977 492826 463499 388047 530073 462657 509791 499795 4-aminobenzoic acid 1502 1612 2182 1524 2193 1695 1917 1402 2258 1639 2218 1185 1569 1845 1645 1537 2191 2100 2670 2969 2166 1708 1348 1423 400 394 451 387 458 331 408 350 443 472 451 385 524 619 433 430 459 385 235 301 379 645 510 356 238 219 256 216 427 280 343 214 154 167 292 145 222 194 265 262 213 222 209 211 201 283 242 101 4',5-dihydroxy-7-glucosyloxyflavanone 6476 7438 10433 6985 8092 7569 6950 12022 10781 5912 6563 2371 7608 8076 9903 6543 10735 7568 4165 8464 7213 7937 1638 7555 9427 3881 2034 11899 8664 8235 10753 9156 7165 13129 9848 18021 9438 7365 10766 15990 14073 7201 13171 17793 23836 11737 19953 11090 507 2462 440 899 2273 856 2548 1620 381 891 1934 2658 1499 825 582 385 1650 300 2468 809 778 1344 2715 1342 3-hydroxypropionic acid 12280 13953 13937 11209 11630 12027 10273 5465 15672 10938 8923 8629 9450 11572 9913 9845 11634 10217 11844 9472 12000 10804 13852 10531 6202 5334 7010 7187 6747 6078 5216 5368 4371 5603 6098 5655 4737 6390 5109 7163 7487 5550 9132 5322 6265 6614 8050 4922 3394 2547 3039 2566 3531 3841 3859 3422 2591 2619 2952 2577 4365 2349 2942 3957 4032 3199 3557 3802 3755 3146 2750 1275 3-hydroxy-3-methylglutaric acid 3045 4447 6905 3169 1935 3893 3708 5895 8203 1641 641 1303 2825 1718 3793 2819 4096 4927 7792 4580 3430 1934 3981 4028 898 736 910 595 796 812 692 707 584 807 687 936 663 1182 869 448 586 756 1001 921 961 980 1055 660 4860 9269 3452 5266 8665 10767 7218 7262 4899 2200 6226 4049 6947 5897 5205 5186 7380 9388 3902 5679 6153 5235 6989 6732 3-Aminopiperidine-2,6-dione 22953 8499 28398 14787 17628 23221 15633 53686 22197 10737 18420 7973 10235 12903 15395 9381 15000 21010 20996 19037 15300 4660 15274 15054 1243 48543 42361 1167 1708 39157 3575 18000 1968 43522 37045 44459 71151 60783 9944 1249 4011 1003 4022 776 30491 1103 1714 55888 17575 1775 1755 4252 2344 2459 1839 1618 1952 1482 2509 2637 1156 1914 2111 2350 1302 2314 1423 802 2262 2168 1758 1175 3-aminoisobutyric acid 2074 1446 1057 497 740 1439 675 3691 909 527 861 736 1385 1315 2740 696 678 1065 1356 1355 830 791 1789 1654 310 366 691 595 473 196 463 438 294 648 335 414 468 485 477 387 324 424 598 185 557 528 558 401 508 339 494 471 337 524 308 427 263 356 266 128 750 424 414 790 512 676 248 455 529 39 257 365 3,4-dihydroxybenzoic acid 5188 8569 42800 5570 8662 7698 7326 6786 8606 7688 5808 6804 6174 7519 6014 6726 7822 7981 8464 2616 9445 8284 46030 7771 2269 936 1284 1492 909 1307 591 834 1166 1206 1833 1029 475 2199 1568 865 18584 1248 974 667 1299 839 661 996 1320 1270 1084 1563 871 1661 1248 937 494 1380 931 1048 1206 1226 961 3468 1307 1197 1481 1449 976 1044 868 1266 2-picolinic acid 5364 46045 102760 5157 18603 32516 10151 5456 98636 12951 314 15219 89507 104847 56308 8098 12923 865 61282 50586 12898 10880 35519 40873 932 1257 10896 802 15741 940 1220 7775 696 1047 8688 604 6608 7398 795 1267 25081 404 1184 836 1172 730 1518 6103 268 200 713 189 1005 330 879 362 474 3682 369 331 495 436 713 355 642 284 218 506 588 471 445 53 2-monoolein 32641 71937 100673 59890 69879 100948 65193 44970 81364 48527 76772 59316 42866 94581 106569 40387 78205 58558 103133 108194 44358 65439 89417 58250 820 5810 5804 5036 5357 3272 385 3406 1791 5895 2439 5187 729 5347 5591 5527 11104 2950 5695 5007 5002 4346 4240 5189 8926 8643 6261 8105 11364 46600 9865 8260 11051 1113 5663 4708 20325 9360 15604 13880 13460 18223 2905 15309 10866 8807 16563 11382 2-ketoisocaproic acid 2749 3095 2488 2462 1391 3572 2052 4919 3981 1856 438 1436 929 1066 1592 1641 1510 3068 2762 1727 2331 962 2977 4761 1182 1321 2055 1373 2130 1453 945 1534 790 1614 1524 1363 1586 2016 1138 1546 2435 870 1009 753 1541 1852 1908 1131 1505 1154 2017 1509 1673 1553 2131 1402 1014 1163 1279 1280 1904 522 1826 1598 1613 1159 926 1635 1602 1142 1094 631 2-ketoglucose dimethylacetal 30693 53438 27788 39641 51686 38154 52547 36593 36645 56456 44522 52524 37148 86784 65343 52876 40208 23102 45630 48583 2819 63702 42622 26807 869 17616 503 14535 8110 13554 9842 12510 11989 16088 1043 12560 11273 17416 11115 3538 5669 1866 13224 9398 11193 11582 4309 6169 1123 1515 2810 1488 2319 1500 2066 776 453 675 2086 2044 1175 734 2065 1355 1654 1099 1098 1417 796 2220 1303 983 2-ketoadipic acid 7493 9602 11481 6625 7554 9189 6274 12448 12235 4364 4978 5385 4522 7390 5137 7720 5171 6946 10002 8880 5672 8394 8328 5761 7839 9579 10454 7221 10562 9241 8075 8263 6464 8122 8504 5133 7536 10875 6748 10162 9034 9942 10813 7456 9888 9214 13840 6769 5238 1715 5316 3531 5538 5636 5118 4080 2289 3203 4647 4213 6008 2958 6463 4760 5379 4157 4512 5589 5112 4398 2043 20663 2-hydroxyvaleric acid 25392 3585 2456 20176 2855 12859 2863 11609 3184 3298 2867 2110 3613 5537 2191 5341 2230 4098 3850 3322 2249 14746 2830 2392 4595 4539 6162 3280 7331 4924 4234 5800 4569 4280 3400 3395 2101 4580 3058 5429 9260 3439 4729 4427 5066 6089 7250 4306 6320 3657 6286 4171 6531 7159 5453 5402 3805 3980 5571 4103 8436 3158 6479 8155 6017 4844 4729 6798 5255 4894 3897 1138 2-hydroxyglutaric acid 23165 17840 29448 16905 10295 17941 19677 21064 24219 21094 31185 20530 27662 21013 27358 14826 27934 15949 23733 22490 18439 19248 22116 20016 2137 1527 2444 2373 2283 1564 2384 1795 2245 1875 2252 1928 1812 4620 2574 2547 2048 3156 2220 1302 1790 1845 1458 1937 2091 2934 2986 4531 1773 1398 2397 3731 1296 1297 1031 3100 1570 3770 2305 2209 1194 1541 1823 2699 1995 3632 2267 1063 2,5-dihydroxypyrazine 59338 65008 69442 67660 35421 81652 67379 28217 63058 48405 70886 55523 39579 42674 50092 27279 45725 44280 79597 108964 58561 80561 65180 43756 1731 2151 2172 1925 1616 1498 1634 1634 2239 2299 1980 1957 1544 1634 1619 1309 2563 1071 1682 980 1675 2335 1858 1756 7108 7610 7275 7550 5006 7599 6202 6529 7939 4260 7112 6567 6363 7495 8089 9469 7577 8469 4891 6110 7368 6308 7990 6290 2,3-dihydroxypyridine 3173 3574 4227 2376 2767 2994 2692 574 4974 458 3171 2455 3721 4847 3440 3687 911 2554 3895 4007 2644 3112 2888 3221 2166 1906 1150 1638 2601 2178 1196 1550 1682 2083 1911 1409 1505 2540 1857 2195 3080 1766 2535 2247 2461 1754 2478 1632 1169 780 1060 670 1116 1487 1027 812 976 640 915 944 917 829 1148 1556 177 913 932 1457 1135 1234 869 399 2,3-dihydroxybutanoic acid 5046 2963 5302 3639 2354 3145 3729 2811 5081 1795 3702 2239 2931 2320 3749 2224 5724 3949 4695 3994 3338 3689 4516 4110 409 433 441 361 468 344 384 340 306 381 296 343 373 626 465 804 546 368 376 298 418 327 477 339 548 417 552 308 520 256 667 418 342 372 363 266 382 330 614 533 484 475 391 517 547 312 500 346 1-monostearin 23436 69626 46212 1295 61157 68726 11231 8110 8567 9472 8436 4382 66559 39748 29285 26760 30618 10864 313050 73008 35177 7312 11265 6615 3584 6058 18832 31947 6229 27408 22150 4640 35430 2873 6551 61775 4022 6676 6135 3628 163121 3711 6343 66206 4873 4974 1084 3934 5645 1443 27647 1551 13897 2382 4393 1385 1897 1557 1605 1710 16863 15510 226619 2267 749 1935 1810 2570 1995 3477 1575 15120 1-monopalmitin 19851 33619 30007 10202 30658 35788 19899 28697 1986 10226 12383 11237 31066 22084 21217 17286 22610 10347 101850 37216 26411 12833 14838 13277 1445 4503 27184 13855 4167 10513 11590 3683 14288 3626 3312 23313 2808 4132 2897 3224 51539 2702 4255 22565 3860 3156 4020 3050 5303 2527 11132 2675 7954 3288 8923 3536 1463 1341 4207 3455 13521 9229 56969 3913 4574 2140 3542 4958 3770 7469 12008 5607 1-monoolein 52490 48938 104245 58060 32126 93994 47927 98434 92371 46025 57559 41338 47272 59062 76759 30619 47307 78256 69504 81013 72627 44929 92315 67010 43597 29439 15583 17165 14177 18669 21251 17220 11421 16550 18294 13755 12887 14699 15842 22223 22035 15054 7039 9800 9390 17027 11600 10804 8533 6368 6343 11745 7226 12091 17474 5689 10485 9483 8148 9985 19678 7041 9844 10522 14500 13523 15874 15532 13646 9741 8907 8470 1-methylgalactose 107365 75324 192395 105794 92280 126767 90812 149764 134201 82146 103653 75318 88866 74559 117248 60541 93866 127361 116616 120865 99523 86672 109017 105999 31891 13975 25932 26321 22782 30848 20716 5194 28950 31134 19956 24767 27966 39001 35038 24886 18633 34947 38822 32282 41278 6345 29693 23639 6116 5280 5418 6090 5116 5721 6363 5524 5902 5689 3735 4829 6216 6415 4347 5462 6036 8691 11084 5001 6441 5025 4707 8542 1,3-diaminopropane 21073 13167 37291 16753 20291 24676 18573 31171 23675 13021 13006 10232 18551 18298 21145 10936 19217 27915 20775 19568 19193 13420 20170 29808 2276 3007 2748 2437 4138 2280 2889 2477 2165 4007 2553 3355 2607 2520 2514 2763 4604 2768 4316 2018 2843 2922 3542 2861 6424 17967 41681 19698 30507 4631 26786 18573 3998 35398 69099 51194 5552 4435 35829 22004 15643 44347 14181 7291 11632 37058 19629 2549 1,2,4-benzenetriol 5164 8156 2755 4788 4798 2747 4974 2753 3678 6257 4278 5814 5214 5844 4623 7314 4721 4626 3109 3848 4009 6545 3910 4520 7369 5102 6894 5848 5601 5860 6405 5574 5775 5784 1482 5447 4540 6580 5163 8459 9105 2153 5479 2837 6210 6705 7893 4638 3569 1302 2505 769 806 3539 2256 1495 2029 1780 1115 2056 4022 2513 3457 4317 3217 2285 2553 3315 3085 3133 977 784 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PubChem ret.index quant mz xylulose C00312 439205 553450 173 xylose C00181 135191 543267 103 xylonolactone C02266 439692 535176 217 xylonic acid isomer C02341 10264 590775 189 xylonic acid C00502 6602431 589278 333 valine C00183 6287 313502 144 uridine C00299 6029 861508 217 uric acid C00366 1175 731038 441 urea C00086 1176 329351 189 uracil C00106 1174 385735 241 UDP-N-acetylglucosamine C00043 445675 625003 226 tyrosol C06044 10393 510842 179 tyrosine C00082 6057 671252 218 tyramine C00483 5610 664737 174 tryptophan C00078 6305 780482 202 triacontanol 68972 1111809 496 trehalose C01083 7427 948197 191 tocopherol gamma- C02483 92729 1026121 223 tocopherol alpha- C02477 14985 1066526 237 thymidine C00214 5789 349402 170 threonine C00188 6288 409568 218 threonic acid C01620 5460407 497572 292 tetracosane 12592 844612 85 tagatose C00795 439312 631459 307 sucrose C00089 5988 915139 271 succinic acid C00042 1110 370737 247 stigmasterol C05442 5280794 1110837 255 spermine C00750 1103 952638 116 spermidine C00315 1102 792924 144 sorbitol C00794 5780 667922 217 sinapinic acid C00482 637775 788416 338 shikimic acid C00493 8742 611100 204 serine C00065 5951 395020 204 scopoletin C01752 5280460 723260 234 salicylic acid C00805 338 480699 267 saccharic acid C00818 33037 699211 333 ribose-5-phosphate C00117 439167 731096 315 ribose C00121 5779 553135 217 ribonic acid C01685 5460677 597646 292 ribitol C00474 827 575497 217 raffinose C00492 439242 1120886 361 pyrophosphate C00013 1023 327517 110 putrescine C00138 1045 588119 174 pseudo uridine C02067 15047 813899 217 propyleneglycol 259994 177885 117 proline C00148 145742 364523 142 pipecolinic acid 6931662 404121 156 phytol C01389 5280435 761712 143 phosphoethanolamine C00346 1015 604335 299 phosphate C00009 1004 346324 314 phenylethylamine C05332 1001 513300 174 phenylalanine C00079 6140 537804 192 pentose 229 540818 103 pentitol D00061 827 561721 307 pelargonic acid C01601 8158 398892 215 palmitoleic acid C08362 445638 706259 311 palmitic acid C00249 985 713809 313 oxoproline 7405 488374 156 ornithine C00077 6262 527113 142 oleic acid C00712 445639 779120 339 O-acetylserine C00979 99478 414914 174 N-methylethanolamine 8016 228173 116 nicotinic acid C00253 938 366992 180 nicotinamide C00153 936 471602 179 nicotianamine C05324 9882882 898928 186 neohesperidin 442439 870083 273 N-acetylmannosamine C00645 439281 735323 319 N-acetyl-D-galactosamine C05021 440552 720730 319 myristic acid C06424 11005 634414 285 myo-inositol C00137 892 730022 305 mucic acid C00879 3037582 709842 333 methylmaleic acid C02226 643798 418804 259 methyl O-D-galactopyranoside C03619 94214 630836 204 methionine sulfoxide C15998 10062737 588656 128 methionine C00073 6137 483560 176 methanolphosphate 13130 289520 241 melibiose C05402 440658 988497 361 maltose C00208 439186 946601 204 malonic acid C00383 867 305372 233 malic acid C00711 525 463180 233 maleimide C07272 10935 245118 154 maleic acid 444266 365746 245 lyxitol C00532 439255 573587 217 lysine C00047 5962 662197 317 linolenic acid C06427 5280934 780376 108 linoleic acid methyl ester 5284421 738308 93 linoleic acid C01595 5280450 777285 337 lignoceric acid C08320 11197 978597 132 levoglucosan 2724705 569637 204 leucine C00123 6106 351153 158 lauric acid C02679 3893 547906 117 lactose C00243 440995 935640 191 lactobionic acid C04247 7314 972139 204 lactitol C13542 157355 959541 361 lactic acid C01432 612 215238 191 isothreonic acid C00639 151152 489385 292 isoribose 10975657 558730 217 isomaltose C00252 439193 983199 160 isoleucine C00407 6306 359251 158 isocitric acid C00451 5318532 617338 245 inositol-4-monophosphate C03546 440043 845976 315 ile-ile C12H24N2O3 7010568 677904 158 hypoxanthine C00262 790 619128 265 hypotaurine C00519 107812 525092 188 hydroquinone C00530 785 422583 239 homoserine C00263 12647 443878 218 homoglutamine 9905942 447559 170 homocystine C01817 10010 874865 128 heptadecanoic acid 10465 751309 117 guanosine C00387 6802 954962 324 guanine C00242 764 744307 352 glycyl-proline 3013625 691662 174 glycyl tyrosine 92829 922071 174 glycolic acid C00160 757 227636 177 glycine C00037 750 368707 248 glycerol-alpha-phosphate C03189 754 590747 357 glycerol-3-galactoside C05401 16048618 805227 204 glycerol C00116 753 344466 205 glyceric acid C00258 752 377308 189 glutaric acid C00489 743 421596 261 glutamine C00064 5961 600315 156 glutamic acid C00025 33032 529100 246 glucuronic acid C00191 94715 665901 333 glucose-6-phosphate C00092 5958 808788 387 glucose-1-phosphate C00103 65533 594647 217 glucose C00221 64689 659798 319 gluconic acid lactone C00198 7027 645815 220 gluconic acid C00800 6857417 693148 333 glucoheptulose C02076 5459879 828606 217 galacturonic acid C08348 441476 669400 333 galactose-6-phosphate C01113 439404 828102 387 galactonic acid C00880 128869 690882 292 galactinol C01235 11727586 1017580 204 fumaric acid C00122 444972 390016 245 fucose C02095 439650 578299 160 fructose-6-phosphate C05345 440641 804279 315 fructose C02336 439709 639442 307 ferulic acid C01494 445858 732779 338 ethanolamine C00189 700 342561 174 erythrose C01796 439574 443306 205 erythronic acid lactone isomer C02341 5325915 407495 247 erythronic acid 2781043 512029 217 erythritol C00503 222285 471922 217 ecosanol 12404 832842 103 dihydroxymalonic acid 68412 443241 307 dihydroxyacetone C00184 670 332120 89 dehydroascorbic acid C05422 440667 633423 173 cytidine 934269 223 cyanoalanine 18647689 404807 141 coniferin C00761 5280372 1022427 324 conduritol-beta-expoxide 9989541 701723 318 citrulline C00327 9750 621404 157 citric acid C00158 311 618808 273 citramalic acid C00815 1081 456203 247 cis-sinapinic acid C00482 1549091 718113 338 cholesterol C00187 5997 1078536 129 cerotinic acid 10469 1033286 145 cadaverine 273 631457 174 butyrolactam 12025 277199 142 butylamine C18706 8007 249493 174 biuret C03283 134490 571466 171 biphenyl C06588 7095 426625 154 beta-sitosterol C01753 222284 1128225 129 beta-mannosylglycerate C11544 5460194 775654 204 beta-glycerolphosphate C02979 2526 574470 243 beta-gentiobiose C08240 441422 965352 160 beta-alanine C00099 239 435564 248 azelaic acid C08261 19347555 610551 317 aspartic acid C00049 5960 712168 232 asparagine C00152 6267 552557 231 ascorbic acid C00072 54670067 672898 332 arabitol C01904 94154 572730 103 aminomalonate C00872 100714 455754 218 alpha-ketoglutarate C00026 51 507392 198 alpha-aminoadipic acid C00956 92136 571057 260 allantoic acid C00499 203 647453 331 alanine C00041 5950 244189 116 agmatine C00179 199 587237 314 adipic acid C06104 196 474435 111 adenosine C00212 60961 918039 236 adenine C00147 190 646701 264 aconitic acid C00417 643757 586815 229 6-deoxyglucose C08352 441480 575986 117 6-deoxyglucitol 151266 599776 117 5'-deoxy-5'-methylthioadenosine C00170 439176 967036 236 4-hydroxybutyric acid C00989 10413 325027 233 4-hydroxybenzoate C00156 135 537925 223 4-aminobutyric acid C00334 119 488730 304 4-aminobenzoic acid C00568 7057990 630439 266 4',5-dihydroxy-7-glucosyloxyflavanone C09099 92794 978980 169 3-hydroxypropionic acid C01013 68152 269265 177 3-hydroxy-3-methylglutaric acid C03761 1662 521554 247 3-Aminopiperidine-2,6-dione 134508 525893 156 3-aminoisobutyric acid C05145 64956 452655 248 3,4-dihydroxybenzoic acid C00230 72 620200 193 2-picolinic acid C10164 1018 381532 180 2-monoolein 5319879 941794 129 2-ketoisocaproic acid C00233 70 310761 89 2-ketoglucose dimethylacetal 159630 456913 234 2-ketoadipic acid C00322 71 331841 100 2-hydroxyvaleric acid 98009 309587 131 2-hydroxyglutaric acid C02630 43 506306 247 2,5-dihydroxypyrazine 23368901 397526 241 2,3-dihydroxypyridine 28115 373895 240 2,3-dihydroxybutanoic acid 250402 384796 292 1-monostearin D01947 24699 959214 203 1-monopalmitin 14900 900644 371 1-monoolein 5283468 955584 129 1-methylgalactose 2108 664807 204 1,3-diaminopropane C00986 428 546741 174 1,2,4-benzenetriol C02814 10787 521803 239 METABOLITES_END #END