#METABOLOMICS WORKBENCH jfolz_20211221_105402 DATATRACK_ID:2997 STUDY_ID:ST002026 ANALYSIS_ID:AN003296 PROJECT_ID:PR001287 VERSION 1 CREATED_ON December 22, 2021, 11:48 am #PROJECT PR:PROJECT_TITLE Metabolomics Analysis of Blood Plasma and Stool from Six Week Flaxseed Dietary PR:PROJECT_TITLE Intervention in Postmenopausal Women PR:PROJECT_SUMMARY Samples were taken before and after 6 weeks of flaxseed dietary intervention. PR:PROJECT_SUMMARY Serum and fecal metabolomics were performed to characterize the metabolomic PR:PROJECT_SUMMARY profiles of serum and stool metabolites pre- and post-intervention. PR:INSTITUTE UC Davis PR:LAST_NAME folz PR:FIRST_NAME jake PR:ADDRESS 451 Health Science Drive PR:EMAIL jfolz@ucdavis.edu PR:PHONE 7155636311 #STUDY ST:STUDY_TITLE Metabolomics Analysis of Blood Plasma and Stool from Six Week Flaxseed Dietary ST:STUDY_TITLE Intervention in Postmenopausal Women (Stool/GC) ST:STUDY_SUMMARY Samples were taken before and after 6 weeks of flaxseed dietary intervention. ST:STUDY_SUMMARY Serum and fecal metabolomics were performed to characterize the metabolomic ST:STUDY_SUMMARY profiles of serum and stool metabolites pre- and post-intervention. ST:INSTITUTE UC Davis ST:LAST_NAME folz ST:FIRST_NAME jake ST:ADDRESS 451 Health Science Drive ST:EMAIL jfolz@ucdavis.edu ST:PHONE 7155636311 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - RS-01550883 Treatment:Pre-intervention RAW_FILE_NAME=200204bJWsa46_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01574184 Treatment:Post-intervention RAW_FILE_NAME=200205bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01583250 Treatment:Pre-intervention RAW_FILE_NAME=200205bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01586115 Treatment:Post-intervention RAW_FILE_NAME=200207bJWsa41_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01593509 Treatment:Pre-intervention RAW_FILE_NAME=200207bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01607340 Treatment:Post-intervention RAW_FILE_NAME=200206bJWsa46_9.cdf SUBJECT_SAMPLE_FACTORS - RS-01617214 Treatment:Post-intervention RAW_FILE_NAME=200204bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - 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RS-02622760 Treatment:Post-intervention RAW_FILE_NAME=200204bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02636728 Treatment:Pre-intervention RAW_FILE_NAME=200206bJWsa45_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02637716 Treatment:Post-intervention RAW_FILE_NAME=200207bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02674498 Treatment:Post-intervention RAW_FILE_NAME=200206bJWsa26_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02681370 Treatment:Pre-intervention RAW_FILE_NAME=200206bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02724295 Treatment:Pre-intervention RAW_FILE_NAME=200207bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02731752 Treatment:Pre-intervention RAW_FILE_NAME=200205bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02734868 Treatment:Pre-intervention RAW_FILE_NAME=200204bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02750185 Treatment:Post-intervention RAW_FILE_NAME=200206bJWsa22_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02756031 Treatment:Post-intervention RAW_FILE_NAME=200205bJWsa04_1.cdf #COLLECTION CO:COLLECTION_SUMMARY Samples were taken before and after 6 weeks of flaxseed dietary intervention. CO:COLLECTION_SUMMARY Serum and fecal metabolomics were performed to characterize the metabolomic CO:COLLECTION_SUMMARY profiles of serum and stool metabolites pre- and post-intervention. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY Samples were taken before and after 6 weeks of flaxseed dietary intervention. TR:TREATMENT_SUMMARY Serum and fecal metabolomics were performed to characterize the metabolomic TR:TREATMENT_SUMMARY profiles of serum and stool metabolites pre- and post-intervention. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Equipment: Centrifuge Eppendorf 5415 D Calibrated pipettes 20-200µL and SP:SAMPLEPREP_SUMMARY 100-1000µL Multi-Tube Vortexer (VWR VX-2500) Orbital Mixing Chilling/Heating SP:SAMPLEPREP_SUMMARY Plate (Torrey Pines Scientific Instruments) Speed vacuum concentration system SP:SAMPLEPREP_SUMMARY (Labconco Centrivap cold trap) Chemicals: Product Manufacturer & Part Number SP:SAMPLEPREP_SUMMARY Eppendorf tubes 1.5 mL, uncolored Eppendorf 022363204 Eppendorf tubes 2 mL, SP:SAMPLEPREP_SUMMARY uncolored Eppendorf 022363352 Crushed ice UC Davis Water, LC/MS Grade Fisher SP:SAMPLEPREP_SUMMARY Optima W6-4 MTBE, HPLC Grade Acros Organics 389050010 Methanol, LC/MS Grade SP:SAMPLEPREP_SUMMARY Fisher A456-4 Bioreclamation human plasma (disodium EDTA) Bioreclamation SP:SAMPLEPREP_SUMMARY HMPLEDTA Acetonitrile, HPLC Grade Fisher Optima A955-4 Iso-Propanol, HPLC Grade SP:SAMPLEPREP_SUMMARY Fisher A461-4 Sample Preparation: Preparation of extraction solvent Combine 120 SP:SAMPLEPREP_SUMMARY mL of chilled MeOH/QC mix with 400 mL of chilled MTBE/Cholesterol Ester 22:1 in SP:SAMPLEPREP_SUMMARY a clean 500 mL stock bottle. Mix thoroughly by swirling or stir plate and store SP:SAMPLEPREP_SUMMARY at -20°C until use. *See SOP “QC mix for LC-MS lipid analysis” for SP:SAMPLEPREP_SUMMARY preparation of MeOH/QC mix and MTBE/Cholesterol Ester 22:1. Preparation of Clean SP:SAMPLEPREP_SUMMARY Up solvent For 1 L of extraction solvent, combine 375 mL of acetonitrile, 375 mL SP:SAMPLEPREP_SUMMARY of isopropanol, and 250 mL water in a 1 L bottle conditioned with the SP:SAMPLEPREP_SUMMARY aforementioned chemicals. If a different total volume of extraction solvent is SP:SAMPLEPREP_SUMMARY needed, simply mix acetonitrile, isopropanol, and water in volumes in proportion SP:SAMPLEPREP_SUMMARY 3:3:2. Purge the extraction solution mix for 5 min with nitrogen with small SP:SAMPLEPREP_SUMMARY bubbles. Make sure that the nitrogen line is flushed out of air before using it SP:SAMPLEPREP_SUMMARY for degassing the extraction solvent solution. Store at -20°C until use. Note: SP:SAMPLEPREP_SUMMARY if solvent freezes, sonicate until thawed and mix before use. Extraction Thaw SP:SAMPLEPREP_SUMMARY raw samples/controls at room temperature (or in the refrigerator at 4˚C) and SP:SAMPLEPREP_SUMMARY either invert the tube or vortex 10 sec at low speed to homogenize. Aliquot 20 SP:SAMPLEPREP_SUMMARY μL of plasma sample into a 1.5 mL Eppendorf tube. Keep all samples on ice. Add SP:SAMPLEPREP_SUMMARY 975 µL ice-cold 3:10 (v/v) MeOH/MTBE + QC mix/CE 22:1 extraction solvent SP:SAMPLEPREP_SUMMARY mixture to each aliquot, keeping the extraction solvent on ice during the SP:SAMPLEPREP_SUMMARY procedure. Vortex samples for 10 seconds, then shake for 5 minutes at 4°C on SP:SAMPLEPREP_SUMMARY the orbital mixer. Add 188 µL room temperature LC/MS grade water to each tube. SP:SAMPLEPREP_SUMMARY Vortex tubes for 20 seconds and then centrifuge for 2 min at 14,000 rcf. SP:SAMPLEPREP_SUMMARY Transfer the upper organic phase to two separate tubes (350 µL/each tube) for SP:SAMPLEPREP_SUMMARY lipidomics analysis. Transfer 75 µL of the remaining organic phase to a 2, 15, SP:SAMPLEPREP_SUMMARY or 50 mL tube for pools, depending on number of samples in the study. Transfer SP:SAMPLEPREP_SUMMARY the bottom aqueous phase to two separate tubes (110 µL/each tube) for SP:SAMPLEPREP_SUMMARY HILIC/GC-TOF analysis. Dry down one tube from each phase by centrivap, keeping SP:SAMPLEPREP_SUMMARY the undried tubes as backups. Store all tubes at -20˚C until ready for SP:SAMPLEPREP_SUMMARY analysis. Clean up step for GC only (and pooling) Resuspend the dried aliquot SP:SAMPLEPREP_SUMMARY with 500 μL 3:3:2 (v/v/v) ACN:IPA:H2O (degassed as given above) and vortex for SP:SAMPLEPREP_SUMMARY about 10 sec. Centrifuge for 2 min at 14000 rcf. Remove 450 uL supernatant to a SP:SAMPLEPREP_SUMMARY clean 1.5 mL eppendorf tube. Tranfering remainder to a 2, 15, 50 mL Tube, SP:SAMPLEPREP_SUMMARY dependent on number of samples. Aliquot out 1.9 mL uL of supernatant to new 2ml SP:SAMPLEPREP_SUMMARY eppendorf tubes. Centrifuge for 2 min at 14000 rcf Aliquot out 4x450 uL of SP:SAMPLEPREP_SUMMARY supernatant into clean 1.5 mL Eppendorf tubes. Evaporate to comeplete dryness in SP:SAMPLEPREP_SUMMARY the Labconco Centruvap cold trap concentrator. Submit to derivatization . SP:SAMPLEPREP_SUMMARY Pooling (CSH platform only) Transfer multiple 350 µL aliquots of pooled samples SP:SAMPLEPREP_SUMMARY to 1.5 mL Eppendorf tubes, one aliquot for every 10 samples in the study. If SP:SAMPLEPREP_SUMMARY there is still pool remaining, prepare additional aliquots for backup. Evaporate SP:SAMPLEPREP_SUMMARY to complete dryness in the Labconco Centrivap cold trap concentrator. Store all SP:SAMPLEPREP_SUMMARY tubes at -20°C until ready for analysis. Quality assurance For every 10 SP:SAMPLEPREP_SUMMARY samples, extract a method blank (20 µL of H2O) and a sample control (20 µL SP:SAMPLEPREP_SUMMARY human Bioreclamation or analogous species plasma) in addition to samples. For SP:SAMPLEPREP_SUMMARY large studies (>100 samples), for every 100 samples a NIST plasma extract should SP:SAMPLEPREP_SUMMARY be prepared in the same manner as positive controls. Disposal of waste Collect SP:SAMPLEPREP_SUMMARY all chemicals in appropriate bottles and follow the disposal rules. Collect SP:SAMPLEPREP_SUMMARY residual plasma/serum samples in specifically designed red ‘biohazard’ waste SP:SAMPLEPREP_SUMMARY bags. Extraction of Mammalian Tissue Samples: Liver 1. References: Fiehn O, Kind SP:SAMPLEPREP_SUMMARY T (2006) Metabolite profiling in blood plasma. In: Metabolomics: Methods and SP:SAMPLEPREP_SUMMARY Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ (in press) 2.Starting SP:SAMPLEPREP_SUMMARY material: Liver sample: weigh 4mg per sample into 2mL Eppendorf tubes. 3. SP:SAMPLEPREP_SUMMARY Equipment: Centrifuge (Eppendorf 5415 D) Calibrated pipettes 1-200μl and SP:SAMPLEPREP_SUMMARY 100-1000μl Eppendorf tubes 2mL, clear (Cat. No. 022363204) Centrifuge tubes SP:SAMPLEPREP_SUMMARY 50mL, polypropylene Eppendorff Tabletop Centrifuge (Proteomics core Lab.) SP:SAMPLEPREP_SUMMARY ThermoElectron Neslab RTE 740 cooling bath at –20°C MiniVortexer (VWR) SP:SAMPLEPREP_SUMMARY Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific Instruments) SP:SAMPLEPREP_SUMMARY Speed vacuum concentration system (Labconco Centrivap cold trap) Turex mini SP:SAMPLEPREP_SUMMARY homogenizer 4. Chemicals Acetonitrile, LCMS grade (JT Baker; Cat. No.9829-02) SP:SAMPLEPREP_SUMMARY Isopropanol, HPLC grade (JT Baker; Cat. No. 9095-02) Methanol Acetone Crushed SP:SAMPLEPREP_SUMMARY ice 18 MΩ pure water (Millipore) Nitrogen line with pipette tip pH paper 5-10 SP:SAMPLEPREP_SUMMARY (EMD Chem. Inc.) 5. Procedure Preparation of extraction mix and material before SP:SAMPLEPREP_SUMMARY experiment: Switch on bath to pre-cool at –20°C (±2°C validity temperature SP:SAMPLEPREP_SUMMARY range) Check pH of acetonitrile and isopropanol (pH7) using wetted pH paper Make SP:SAMPLEPREP_SUMMARY the extraction solution by mixing acetonitrile, isopropanol and water in SP:SAMPLEPREP_SUMMARY proportions 3 : 3 : 2 De-gas the extraction solution for 5 min with nitrogen. SP:SAMPLEPREP_SUMMARY Make sure that the nitrogen line was flushed out of air before using it for SP:SAMPLEPREP_SUMMARY degassing the extraction solvent solution Sample Preparation Weigh 4mg tissue SP:SAMPLEPREP_SUMMARY sample in to a 2mL Eppendorf tube. Add 1mL extraction solvent to the tissue SP:SAMPLEPREP_SUMMARY sample and homogenize for 45 seconds ensuring that sample resembles a powder. In SP:SAMPLEPREP_SUMMARY between samples, clean the homogenizer in solutions of methanol, acetone, water, SP:SAMPLEPREP_SUMMARY and the extraction solvent in the order listed. Vortex samples for 10 seconds, SP:SAMPLEPREP_SUMMARY then 5 minutes on 4°C shaker. Centrifuge the samples for 2 minutes at 14,000 SP:SAMPLEPREP_SUMMARY rcf. Aliquot 500µL supernatant for analysis, and 500µL for a backup. Store SP:SAMPLEPREP_SUMMARY backup aliquots in the -20°C freezer. Evaporate one 500µl analysis aliquot in SP:SAMPLEPREP_SUMMARY the Labconco Centrivap cold trap concentrator to complete dryness (typically SP:SAMPLEPREP_SUMMARY overnight). The dried aliquot is then re-suspended with 500μl 50% acetonitrile SP:SAMPLEPREP_SUMMARY (degassed as given) Centrifuge for 2 minutes at 14,000 rcf using the centrifuge SP:SAMPLEPREP_SUMMARY Eppendorf 5415. Remove supernatant to a new Eppendorf tube. Evaporate the SP:SAMPLEPREP_SUMMARY supernatant to dryness in the the Labconco Centrivap cold trap concentrator. SP:SAMPLEPREP_SUMMARY Submit to derivatization. The residue should contain membrane lipids because SP:SAMPLEPREP_SUMMARY these are supposedly not soluble enough to be found in the 50% acetonitrile SP:SAMPLEPREP_SUMMARY solution. Therefore, this ‘membrane residue’ is now taken for membrane SP:SAMPLEPREP_SUMMARY lipidomic fingerprinting using the nanomate LTQ ion trap mass spectrometer. SP:SAMPLEPREP_SUMMARY Likely, a good solvent to redissolve the membrane lipids is e.g. 75% isopropanol SP:SAMPLEPREP_SUMMARY (degassed as given above). If the ‘analysis’ aliquot is to be used for semi SP:SAMPLEPREP_SUMMARY lipophilic compounds such as tyrosine pathway intermediates (incl. dopamine, SP:SAMPLEPREP_SUMMARY serotonine etc, i.e. polar aromatic compounds), then these are supposedly to be SP:SAMPLEPREP_SUMMARY found together with the ‘GCTOF’ aliquot. We can assume that this mixture is SP:SAMPLEPREP_SUMMARY still too complex for Agilent chipLCMS. Therefore, in order to develop and SP:SAMPLEPREP_SUMMARY validate target analysis for such aromatic compounds, we should use some sort of SP:SAMPLEPREP_SUMMARY Solid Phase purification. We re-suspend the dried ‘GCTOF’ aliquot in 300 l SP:SAMPLEPREP_SUMMARY water (degassed as before) to take out sugars, aliphatic amino acids, hydroxyl SP:SAMPLEPREP_SUMMARY acids and similar logP compounds. The residue should contain our target SP:SAMPLEPREP_SUMMARY aromatics .We could also try to adjust pH by using low concentration acetate or SP:SAMPLEPREP_SUMMARY phosphate buffer. The residue could then be taken up in 50% acetonitrile and SP:SAMPLEPREP_SUMMARY used for GCTOF and Agilent chipMS experiments. The other aliquot should be SP:SAMPLEPREP_SUMMARY checked how much of our target compounds would actually be found in the SP:SAMPLEPREP_SUMMARY ‘sugar’ fraction. 6. Problems To prevent contamination disposable material SP:SAMPLEPREP_SUMMARY is used. Control pH from extraction mix. 7. Quality assurance For each sequence SP:SAMPLEPREP_SUMMARY of sample extractions, perform one blank negative control extraction by applying SP:SAMPLEPREP_SUMMARY the total procedure (i.e. all materials and plastic ware) without biological SP:SAMPLEPREP_SUMMARY sample. 8. Disposal of waste Collect all chemicals in appropriate bottles and SP:SAMPLEPREP_SUMMARY follow the disposal rules. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 μm 95% dimethyl 5% diphenyl CH:CHROMATOGRAPHY_SUMMARY polysiloxane film) with additional 10 m integrated guard column is used (Restek, CH:CHROMATOGRAPHY_SUMMARY Bellefonte PA). 99.9999% pure Helium with built-in purifier (Airgas, Radnor PA) CH:CHROMATOGRAPHY_SUMMARY is set at constant flow of 1 ml/min. The oven temperature is held constant at CH:CHROMATOGRAPHY_SUMMARY 50°C for 1 min and then ramped at 20°C/min to 330°C at which it is held CH:CHROMATOGRAPHY_SUMMARY constant for 5 min. CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco Pegasus IV CH:COLUMN_NAME 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 μm 95% dimethyl 5% diphenyl CH:COLUMN_NAME polysiloxane film) #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 A Leco Pegasus IV time of flight mass spectrometer is controlled by the Leco MS:MS_COMMENTS ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line temperature MS:MS_COMMENTS between gas chromatograph and mass spectrometer is set to 280°C. Electron MS:MS_COMMENTS impact ionization at 70V is employed with an ion source temperature of 250°C. MS:MS_COMMENTS Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples RS-01550883 RS-01574184 RS-01583250 RS-01586115 RS-01593509 RS-01607340 RS-01617214 RS-01619927 RS-01629595 RS-01637028 RS-01648850 RS-01683157 RS-01685857 RS-01686993 RS-01692983 RS-01694989 RS-01699494 RS-01704567 RS-01707130 RS-01710825 RS-01713712 RS-01715506 RS-01718537 RS-01718604 RS-01728314 RS-01730343 RS-01734732 RS-01735982 RS-01744745 RS-01747171 RS-01757954 RS-01758794 RS-01759730 RS-01764367 RS-01770486 RS-01774074 RS-01775777 RS-01776131 RS-01803066 RS-01807614 RS-01811942 RS-01820314 RS-01830763 RS-01831593 RS-01838033 RS-01841468 RS-01844927 RS-01851707 RS-01865119 RS-01871547 RS-01873233 RS-01882415 RS-01890031 RS-01890932 RS-01891592 RS-01891737 RS-01898452 RS-01899167 RS-01900937 RS-01905966 RS-01906962 RS-01909498 RS-01912456 RS-01915427 RS-01916436 RS-01920609 RS-01922992 RS-01923384 RS-01931744 RS-01933527 RS-01940439 RS-01950714 RS-01952707 RS-01975227 RS-01975879 RS-02017711 RS-02019533 RS-02022775 RS-02037308 RS-02037597 RS-02040176 RS-02045482 RS-02055250 RS-02055701 RS-02061768 RS-02062826 RS-02082138 RS-02097213 RS-02099628 RS-02099946 RS-02101177 RS-02108920 RS-02117135 RS-02119956 RS-02129908 RS-02135615 RS-02136575 RS-02139810 RS-02155472 RS-02156517 RS-02159560 RS-02163124 RS-02171917 RS-02173570 RS-02174019 RS-02176985 RS-02177788 RS-02179395 RS-02184855 RS-02186686 RS-02186695 RS-02189596 RS-02193478 RS-02207959 RS-02208413 RS-02209055 RS-02210756 RS-02217669 RS-02219083 RS-02220151 RS-02221392 RS-02224703 RS-02232959 RS-02245717 RS-02248450 RS-02254825 RS-02269483 RS-02281190 RS-02282708 RS-02309902 RS-02328916 RS-02343753 RS-02348451 RS-02348498 RS-02349304 RS-02354063 RS-02505149 RS-02583618 RS-02621442 RS-02622760 RS-02636728 RS-02637716 RS-02674498 RS-02681370 RS-02724295 RS-02731752 RS-02734868 RS-02750185 RS-02756031 Factors Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Pre-intervention Treatment:Post-intervention Treatment:Post-intervention 1-hexadecanol 3105 2228 29123 22971 32305 7859 36131 3319 4134 92893 4286 111477 5013 5178 78671 78188 64615 94491 3677 18666 125970 18949 40005 2060 70450 9334 5645 2571 1591 26420 23449 21853 4817 51694 79128 9238 15588 2935 9358 40659 48373 2317 40228 105382 1527 28979 49663 34892 8962 29802 28368 20101 99156 87516 20259 55467 80700 17714 1091 35923 167031 10374 61971 97834 78179 2765 9775 46307 7657 49781 20850 8327 40743 13291 85358 11704 84318 715 65584 39847 30250 1240 90735 71012 6007 16655 117785 1580 16472 63819 23429 17489 86458 32432 19911 22168 83255 22876 2668 14640 72023 37847 4412 84802 23885 354 1023 74618 25433 24613 14231 752 29749 5379 1272 20100 1178 4940 59587 31968 837 3338 20287 13853 3178 39212 22187 51708 1396 5217 733 22151 21451 2484 3483 834 8193 24653 44575 1382 28777 1239 35055 5994 21519 36137 5663 81891 92464 1-kestose 60 21 373 360 160 633 80 137655 244 176 117 137 124 49 41 128 147 69 91 140 31 56 39 83 130 9 298 106 127 52 257 293 298659 81 230 377 195 117 363 89 57 1656 168 119 1070 259 139 389 179 769 72 385 96 100 124 123 66 976 3810 165 151 393 80 228 71 328 255 496 69 45 420 86 2057 181 59 177 92 220 46 451 339 354 26 360 668 193 5812 532 104 217 12124 727 295 697 563 1367 138 700 100 320 300 129 775 114 68 340 81 2135 1641 94 183 812 138 142 962 251 509 265 55 223 1177 67 72 351 63 1256 1162 442 13 102 38 67 277 874 897 1453 104 144 183 389 84 371 60 504 184 169 804 145 581 1-monoolein 3959 2804 49012 347024 29268 122701 10260 5321 3497 7466 14557 1913 16841 59141 3897 7581 12531 1079 14872 729 8762 5242 26337 4858 20833 3135 65101 47655 59265 288131 34504 36078 54973 5018 461538 130711 29486 16347 61068 26861 1538 23790 77394 1784 27575 32937 200255 20539 42677 97857 32157 37882 11734 5619 54338 11184 1271 11348 198072 230505 72123 12559 210588 33033 6466 128129 253196 71881 33730 8317 258836 36272 31802 51347 15650 615925 4488 4503 1283 19500 45247 32348 22761 7398 163132 54746 53040 134445 23863 172626 69874 9227 3999 17690 27987 4278 58262 116388 8319 40273 6316 30183 10166 1083 8514 18349 43243 17377 399183 13433 23000 33645 58936 4474 35302 48690 9865 657711 23943 18531 114608 29788 11050 28407 19031 9817 21599 39288 2406 10874 611998 24290 45701 71463 123426 88985 333176 66236 26869 58264 111344 15268 39860 10392 83977 28897 7192 78144 4709 1-monopalmitin 1615 971 2621 3612 1912 4977 1504 1561 2594 1249 3032 697 2068 1799 967 1200 3487 766 1243 508 1384 836 2340 3107 2855 936 4172 3691 4670 5878 2214 2937 4132 3385 5031 3482 1468 1825 4333 2048 756 5362 3641 1410 7436 2087 2463 3397 2892 3806 1155 1724 2602 1101 2759 1724 1577 2118 29596 3670 6924 1819 5673 728 1794 3670 8066 4350 1338 1034 8812 4476 1775 2138 1786 5711 1779 4625 3114 1807 6601 4929 1518 1639 6807 4757 4929 7188 3927 6648 9704 3018 2812 4598 3162 3304 9084 9677 2862 3517 2874 3035 2197 7446 1109 2310 4593 6781 11827 2805 3945 2015 2505 7536 1976 3659 2819 12341 2931 3023 24698 3841 3904 3221 2833 5852 3301 931 2787 5617 12128 9099 3402 7756 5654 7528 5259 3748 5301 7394 3073 3109 2773 6997 3202 2436 10565 3390 1891 1-monostearin 1924 451 1303 1605 975 1768 582 908 1579 1152 623 601 1073 2025 971 809 1200 385 1000 637 1641 654 1226 970 1690 493 1147 1351 1647 1313 1770 1603 1332 9733 4514 1526 1136 1199 1193 727 549 3534 1484 1043 5693 814 986 1139 1153 3524 725 1075 1038 307 1824 1053 1531 603 5686 2979 2197 1050 1930 602 823 1953 2326 7785 610 597 2585 1906 998 1591 879 2227 822 8754 4051 857 7456 5136 1269 1251 3724 2980 6194 9894 5264 8148 10073 2773 4646 6451 3753 5693 4053 5328 4089 5459 2883 1057 1322 4089 858 1561 8609 11620 7467 1798 3728 1542 1023 12884 1461 1632 3290 7257 4031 1617 3539 5302 5591 4400 1188 9729 3096 12667 4618 10235 5451 13746 5113 11479 5898 9389 3760 4259 8759 5857 2039 2382 2868 6363 2363 5137 36923 1990 1249 1,2,4-benzenetriol 1241 1039 1607 2080 1599 2387 831 1354 1371 2122 2973 1253 2307 1146 1064 1795 1547 696 1445 1213 877 1541 1709 1405 1221 1267 2943 1649 1466 963 3182 2408 3297 1442 1414 1615 1548 1130 2821 865 1904 3357 1854 1977 2284 2844 2082 1485 1191 2634 1233 1597 1059 1179 1725 974 2219 1752 777 983 1639 2099 1726 1393 1033 1840 2001 2078 1800 1396 2236 1118 789 1062 1576 1058 1285 1528 1792 2938 2351 789 1316 1829 3119 1547 1936 1810 1096 827 1450 2234 1306 1375 2065 1335 1925 1224 1150 1614 2441 1969 2097 1603 1292 648 2016 1618 2777 1616 3078 1943 1380 2099 1192 1608 1716 1757 989 1437 1378 1278 1618 1884 1387 1881 1126 1497 1346 1782 1067 1560 1357 3743 1538 1018 1225 2258 1379 1063 1004 1018 1520 1388 1324 1083 2597 1552 2382 2-aminobutyric acid 8659 4984 21427 16865 7199 5642 14040 31768 80122 3299 3585 11857 3003 105026 200676 3425 20685 48045 21442 9493 58709 3232 9928 2693 2812 8589 12837 4736 43575 3182 14232 7149 8473 26095 15938 12995 3012 3954 12583 8762 12795 22542 8648 4041 17160 17012 10331 3673 4401 14721 15044 10660 4995 6406 6254 9412 4408 25409 112153 28539 7055 6723 4630 9568 38667 99133 17663 46529 2882 3493 18024 2218 24272 6474 7391 17495 4899 86035 13773 10337 9621 102027 76828 14104 49326 17975 28838 21740 10043 26941 8796 57422 6050 8666 16626 97612 21998 18227 57039 37159 11967 26582 24048 30932 3668 40219 3222 20195 20058 8210 14346 47850 3106 2478 40402 10247 43490 11922 10734 22440 259236 34277 52036 27607 4082 19717 28821 90703 14989 9540 18410 14741 28597 18168 6686 11931 72200 14843 22773 11534 42442 45702 3748 38790 7883 103268 27861 12025 15897 2-aminophenol 1577 467 558 815 576 363 332 253 287 389 418 234 384 210 239 187 245 70 181 102 431 126 396 230 574 123 2137 420 1857 282 1182 815 630 144 288 489 354 83 286 222 199 878 188 629 341 1860 697 440 996 547 243 556 142 398 148 198 125 232 2605 238 375 268 134 749 746 792 537 192 390 270 302 180 205 572 652 229 535 2113 182 1597 187 779 296 321 428 357 351 121 255 608 166 550 463 335 283 139 365 196 261 127 849 277 794 1416 754 951 102 308 2142 635 296 470 145 602 378 162 1062 461 131 201 583 385 2657 243 992 2751 221 468 159 449 528 298 672 255 74 261 1473 246 291 152 1099 174 166 83 217 3255 1392 105 775 2-deoxypentitol 89 129 179 1124 2669 1061 459 272 353 864 144 203 97 15682 672 404 167 109 215 244 113 29 254 141 191 265 94 408 724 311 639 177 812 278 1315 294 515 160 578 156 168 606 565 247 786 142 283 142 279 980 102 152 109 87 183 267 86 179 1558 323 190 130 406 148 174 1093 394 147 227 200 583 114 47 333 93 446 29 4041 118 508 562 3248 177 383 521 353 1025 1098 554 287 182 1113 181 1137 890 381 203 135 79 2014 388 86 1565 210 214 4734 1126 446 446 236 657 1212 190 246 689 427 1340 1279 177 355 2290 71 159 298 187 991 202 105 75 346 415 55 818 957 1317 1094 1222 627 684 234 2055 1137 2139 309 176 641 1484 284 1504 2-hydroxyglutaric acid 11500 8107 4394 15023 2250 5358 3069 14840 930 2907 4350 8058 5164 8977 14186 2017 3173 2781 5054 2017 2796 1796 5449 7483 3396 6245 7692 10617 5041 6898 6025 25221 3419 19143 7591 8005 7153 13046 14400 2202 2374 12049 18083 3546 15752 8650 7650 2967 3857 20768 13772 7489 5672 8879 4747 8221 6086 36869 8033 3844 7450 6029 11377 2932 7621 8082 3863 6328 5344 1240 11039 2927 2894 4980 3033 1681 2811 5238 20364 3392 12190 13516 1864 8468 9752 22261 18699 6350 5313 9595 30271 9674 13863 18325 17108 13357 15236 11693 2292 2864 3081 18920 21946 5731 10029 10969 974 20865 13346 6922 3332 5969 6231 2723 6132 3276 8928 14448 13513 5344 9834 7475 2045 18633 2658 4095 7457 8869 3633 5228 12294 31362 23293 40204 29781 32459 32019 15269 14638 23228 23302 11669 19179 6107 1289 15533 12546 2560 10295 2-hydroxyvaleric acid 18281 13496 21785 14299 4811 21557 4605 6278 6627 17075 22918 5960 18668 11586 16836 10501 13722 12122 4469 3992 9805 13988 11776 4113 10394 9611 7459 1573 4951 15097 7767 5864 9350 24935 10058 26171 12495 15917 28389 12573 18541 30823 13367 4847 44980 20706 16732 17730 5136 21288 11213 4582 14758 15181 11239 8237 14954 27599 12511 4439 4598 14650 11709 15216 16684 20085 27762 19678 11476 14181 16605 11268 15781 9975 16900 4063 15838 8569 13560 19006 20773 7577 11078 14274 25798 19210 28134 15400 16850 4750 27055 10458 6206 19940 14121 14688 24034 17424 15253 20919 7275 16583 12945 4728 12948 10081 26862 37638 16795 21503 25475 15657 10479 12052 3373 13077 6403 6385 12882 17306 15083 9335 18722 15909 11252 18362 20662 18272 13084 18341 14406 20232 15503 36686 14411 15204 8065 7497 11299 15773 10026 6331 12559 9778 4702 17704 47476 9979 24457 2-ketoadipic acid 10514 7302 13202 4260 1970 5692 5876 2690 3552 9256 7050 2652 11157 2413 8137 3094 7443 6255 7120 7153 5230 3960 8244 1842 2894 2420 8122 7396 1076 7942 2453 15084 7114 17011 6987 834 9647 8771 2962 6925 10927 4159 3145 9265 13951 5781 13301 9820 8764 4860 6237 7385 8239 8764 2838 2380 2988 15538 6621 1270 8174 3573 3464 3642 9208 5820 15536 3486 4085 4137 11305 3942 8827 2527 9560 6589 1760 2612 4809 14421 3479 4374 2895 7434 6996 10889 7355 2399 9142 9357 17657 4084 8233 13069 3437 9552 12066 8941 9528 11751 14003 3158 3992 8683 3128 6231 13726 22282 10810 12130 11275 4666 4343 890 1180 9121 11028 10126 7700 9007 8714 2875 10156 2911 3641 9460 9970 9572 7396 11126 7689 5698 8192 8666 4430 7552 5726 1065 7848 8869 7032 2240 1471 3281 8209 8930 21280 4284 24626 2-ketoisocaproic acid 10156 7935 12823 3000 570 1548 6263 1268 1384 10529 13721 1151 11227 7585 3096 6478 8314 6705 519 926 5751 8178 7233 2924 477 5501 8212 6204 4086 8808 1005 923 11174 14180 2538 1463 7629 8871 16651 7300 11030 1773 1560 3883 24048 949 701 10653 3258 12246 254 1666 8596 9403 816 3289 8917 14892 6609 641 5754 6031 7126 8934 9442 9277 1288 11272 7346 8449 5445 5372 8791 3143 10630 3283 9290 861 2430 736 4269 4442 1885 2775 6142 11316 15828 4802 9974 9437 15688 2580 610 11581 8389 8829 13743 9958 8629 2617 917 767 1767 3445 7802 1276 3459 21922 2622 12743 13737 9089 6227 10458 2446 8276 3853 1178 7204 545 4848 631 11054 1102 6578 10874 11288 10836 3346 8094 7802 10375 9142 2427 8907 3013 1153 2856 6699 9089 1383 5297 2312 3696 3949 8968 23542 6056 13503 2-methylglutaric acid 3236 1731 4842 709 1433 674 572 972 2241 2657 892 565 2300 251 1130 1183 2343 777 1626 1090 1686 915 4582 1980 380 2165 1976 1303 227 470 591 1726 1261 1009 497 1021 853 774 155 611 1476 924 629 2228 938 4657 640 1542 3495 280 853 2137 2260 3057 1005 992 1054 678 307 1629 1573 834 669 1066 1713 1254 362 1180 1507 2350 253 233 469 156 2278 1496 1551 907 1302 934 855 1876 2014 2034 146 1011 422 21 316 2220 509 449 176 283 664 126 625 110 2204 1097 2242 954 1079 1748 783 360 1023 618 180 1268 3108 51 1026 832 112 532 197 211 2025 1784 146 334 5147 2541 988 12372 1949 4924 1340 2301 430 1674 1344 860 449 140 257 957 1302 456 318 92 322 142 1351 97 951 601 877 2-monoolein 9572 109101 8375 85892 6519 26758 6374 1138 13025 32669 13879 2860 6910 14690 11697 7646 10607 207719 4857 10248 120170 9390 9650 5096 9157 7762 132536 14609 8792 28012 181230 172018 19252 793654 63069 23533 32484 30640 37181 9577 10748 26109 22850 6853 145606 7799 26613 13817 113173 36117 481418 432611 12964 8961 15336 507979 81527 80125 182761 34538 151368 8511 30771 7169 28830 11856 159014 148819 245610 218565 48720 478710 22379 42483 1062641 447012 1281299 5566 9435 11324 1362607 11248 61029 37156 54736 30583 15941 40692 5573 39108 223588 33866 1165 31326 213341 11549 40594 13147 107948 8538 8411 17381 285288 13135 77668 9841 43265 78559 102547 13861 30555 11879 21581 16011 6590 30933 115829 407448 108424 192853 26472 11604 7790 22544 14229 50010 18568 30099 34145 36402 178610 121242 19131 12166 21556 26763 56191 17073 16481 5497 88828 16826 79161 7370 1466476 6315 17325 164567 16797 2,3-dihydroxypyridine 2199 1189 2578 1380 3589 2180 591 2106 2520 3036 1167 2219 3202 1023 1449 2280 2007 810 2260 2108 1254 1591 1750 2994 1758 369 8741 654 2115 1513 4328 3890 1193 1574 2172 2620 2069 2938 1697 1369 860 3541 2757 5215 2669 1261 3214 2535 2704 4128 1891 1184 2568 1799 330 1345 1215 1907 1190 1922 923 2431 1786 1824 1920 2676 2043 1705 2176 263 2934 1270 652 597 2289 831 1994 2435 2086 3901 2738 1384 556 1729 1264 1844 3182 1690 2538 616 2032 3893 2296 1452 1991 566 1844 1347 2245 2644 3965 1351 3570 917 1073 1355 1170 2205 1625 1807 4463 2041 2830 789 1714 2104 3931 1724 933 1625 638 1233 2246 1798 1680 2754 1986 2286 1978 3118 901 2735 2127 8482 1586 1138 1049 1697 2622 1357 1277 1097 841 531 2611 1174 3684 1512 2775 2,4-diaminobutyric acid 4301 663 1382 1886 15752 1255 800 2030 1237 1026 8053 653 626 972 7858 786 2365 463 707 1356 6133 782 1187 1380 800 1532 9596 1026 2571 514 1959 1935 3073 1361 1454 914 1127 536 1570 2333 4421 9375 1146 2772 1363 1325 3653 673 1202 1582 812 3724 814 6277 2529 1045 816 5513 13099 1044 1039 2995 3323 3717 1579 2353 2685 1087 684 476 1743 1269 885 1658 939 4017 563 13054 875 1595 840 12354 2077 1590 1419 1579 1543 1208 6580 27576 1145 1901 1194 1211 11855 1542 1090 733 478 4301 1312 550 2074 1496 832 5265 600 1327 1588 4924 257 11513 430 1141 1822 1375 15735 2488 6063 910 10572 1633 1508 2948 622 1667 2497 1637 692 942 5283 1206 1648 1740 922 13902 7746 840 1094 2187 828 15042 1080 8822 2053 1072 4859 399 2450 2,6-diaminopimelic acid 831 384 618 3471 765 989 206 1295 398 758 840 624 298 442 1324 372 1708 404 436 665 768 393 603 538 311 865 560 461 420 108 457 999 1011 1069 1450 1550 272 649 711 869 814 348 593 2670 762 1133 1635 218 462 879 657 545 469 945 320 686 358 993 478 419 2068 361 309 638 587 1644 409 364 269 153 561 231 214 263 496 638 562 448 692 755 1125 716 587 1807 247 2329 2848 382 404 256 272 1204 665 1307 3937 1792 867 547 736 553 1098 588 1011 797 1287 523 253 2536 1368 395 339 532 510 246 133 995 1008 606 762 427 1332 894 1109 882 488 250 435 615 240 346 249 489 1036 1257 313 745 1387 691 348 301 996 4022 4366 147 752 907 724 133 1226 3-(3-hydroxyphenyl)-3-hydroxypropionic acid 704 383 2627 1192 684 3778 379 723 111 707 228 419 489 285 7036 878 2443 361 445 735 729 1674 4079 1310 1406 869 325 224 629 73 6027 1311 365 854 1462 450 2581 117 175 11893 536 743 298 1094 197 4561 779 726 3255 1600 77 2649 425 123 237 145 268 412 1018 2107 1311 3446 339 99 452 22748 160 6270 7524 244 392 392 1789 510 587 416 559 3623 351 201 823 587 711 867 9422 187 3298 5744 119 27 623 788 758 124 430 186 167 324 2541 1774 17 922 49 58 452 12103 1210 4228 1281 150 1877 333 528 158 467 401 259 540 1029 463 997 973 655 660 315 130 223 415 659 57 16035 712 1040 98 4134 361 4546 776 284 6417 88 2420 422 1270 241 39694 1624 174 3-(4-hydroxyphenyl)propionic acid 11657 2156 2811 6021 2104 2772 922 3745 53117 1453 1750 2455 1404 171250 28157 1497 5371 2125 4104 510 23659 1104 998 1876 1224 1151 3218 2240 530599 863 301081 5207 5157 1647 69420 1718 126854 6460 11835 1767 4085 116088 2131 1247 194149 4555 1326 579 1948 10233 1146 1154 1356 1957 2493 1112 897 2062 33352 24335 1005 2343 1848 3342 5023 88409 6128 60103 2162 1826 13129 1102 30872 84360 1508 3217 944 30365 7947 3421 1055 42846 11663 464 396243 16796 1675 134595 3651 2976 2778 225134 48751 3973 8171 7266 4076 120663 2930 99509 1650 3279 360366 6898 1320 26090 1668 87476 4681 6500 3578 38720 620 1384 123816 10030 17397 18237 2783 96185 57414 1837 2026 1769 2502 2081 1025 36035 2022 5294 104582 147239 5116 47012 48270 174935 27967 60148 931 74627 7858 24912 4657 14326 3451 11969 208833 954 2330 3-aminoisobutyric acid 1261 251 552 3612 171 269 450 627 2751 1367 255 2417 379 8269 21049 310 427 3770 3663 876 1460 608 250 139 1233 1227 1082 259 15936 515 2279 473 592 826 23312 3089 2020 155 332 2403 664 7664 538 287 762 1576 2301 948 146 254 684 1183 239 197 977 551 330 703 24222 2818 343 231 214 268 3441 638 1696 1089 967 365 857 384 2573 28389 914 3404 836 4776 1181 722 264 12353 240 277 173 362 385 390 808 418 446 9230 194 2769 909 10368 802 1002 598 5249 464 178 373 780 240 1807 2855 3109 12842 303 2735 14138 278 555 435 588 2606 11623 409 3987 43054 146 1024 3643 123 599 1499 62426 140 393 9921 2026 1939 3651 692 16044 37579 240 1105 5630 27209 11398 30600 1260 482 13978 15475 1412 42098 3-hydroxy-3-methylglutaric acid 147 116 140 520 189 510 156 252 160 337 128 65 81 15972 59 219 17 74 147 93 97 34 100 78 129 235 15 303 56 194 278 282 558 349 95 268 251 183 235 196 117 333 371 155 791 97 259 189 212 399 144 115 97 101 160 248 51 150 648 413 131 129 422 115 119 230 309 136 51 155 298 39 56 241 148 183 83 2169 68 119 316 1385 121 48 160 148 42 988 196 139 79 357 182 475 536 143 144 161 41 1462 147 63 1075 158 252 4485 973 57 224 262 743 113 121 245 579 251 728 844 203 141 292 23 65 154 178 409 124 153 68 274 89 134 322 175 775 468 223 448 158 265 233 928 88 28 101 293 134 70 383 3-hydroxybutyric acid 34381 20769 3562 26598 7666 51445 31798 21171 2481 33448 6046 16025 69796 3244 4095 22137 14498 4094 10219 37280 8562 37750 12313 28658 13751 61561 22069 47692 40011 30520 63695 15857 49331 9464 8294 5931 35451 33716 8373 17666 21089 12587 7319 41501 23060 27271 26578 23962 31321 21557 78689 5665 4556 47875 63345 38846 4741 22619 34740 33049 27446 58212 10577 40240 15219 18562 2694 5909 11757 34619 6848 16295 10317 20747 12916 25198 14970 27120 50091 18358 3638 12346 3881 1115 15859 23121 11368 7366 6291 11164 3333 15927 1920 12495 16714 10027 2249 2022 14261 20754 1659 4852 9707 51024 4567 8422 3258 32296 11038 38519 17353 38602 18959 1594 8992 6182 44528 19759 8809 6872 33136 3311 11537 34861 38959 6348 13307 16274 2531 59333 15513 24923 22231 32963 12648 34127 11122 18553 16765 6954 1946 6638 11814 3948 5069 13442 6236 3381 22002 3-hydroxypalmitic acid 1038 1074 2955 1559 10988 3419 1981 1563 7671 1236 1477 1267 1973 1658 1886 728 1745 1625 1238 1125 1978 3904 2043 1379 2896 1000 4426 2083 2069 16247 2260 3425 7894 2907 22030 27183 3590 1123 1392 1641 1668 2825 1331 1378 3375 3809 7315 1342 1841 2845 3352 3488 3177 1840 1061 2525 2274 1377 1242 8846 2429 1025 2202 32974 1684 4517 3376 11823 2707 7439 1409 1831 5236 1958 2320 17551 2632 809 1757 760 53658 1708 2100 3923 1910 1872 3484 1404 2701 2303 2876 2889 1526 1444 1828 2389 11973 802 1374 2312 3003 810 2109 1464 2703 535 556 9527 13926 2286 6938 916 1053 1454 611 4950 1565 2619 3581 1556 2184 3846 4622 4526 1001 7667 3447 20876 870 1123 807 870 2802 1879 1696 1847 8453 683 9396 4286 7827 1516 10870 1380 4922 927 3180 6617 3309 3-hydroxyphenylacetic acid 12870 1036 12648 44440 2611 40148 2695 4368 2282 541 10720 1632 3029 820 1222 247 1428 973 608 1720 693 1964 1643 560 336 1247 31359 2037 27348 7091 74370 75754 21136 18622 2725 17692 7055 7546 18847 861 10908 10150 2253 722 31171 31635 18667 646 32150 30533 1475 3295 678 1254 3022 994 3146 17346 177 1260 1392 10255 3578 2159 5673 25991 14300 8255 2692 394 25723 1458 1652 3039 2307 2080 2421 342 4778 15796 2227 308 6910 1783 42392 88598 5228 21467 84884 6617 22828 32418 634 46537 6647 7990 26550 501 1176 7410 7731 30467 56591 1669 770 671 2952 19815 1124 4282 3800 349 18540 7757 2066 5898 1135 899 10795 10284 274 18827 8004 6077 4046 29396 13552 1591 4836 6627 234 26930 8219 1488 291 241 7221 6132 2036 564 2728 338 632 254 3703 5101 9022 4218 4286 3-phenyllactic acid 78 266 1029 783 403 1994 487 1796 467 851 729 1017 325 930 1037 867 470 437 1598 399 210 98 476 276 414 2492 2265 791 3671 130 540 858 318 1731 635 1077 460 760 542 93 165 314 880 541 553 190 948 96 268 1487 1956 357 188 223 491 1393 257 725 1223 429 4878 289 133 263 307 1189 362 704 111 182 922 534 855 607 222 1035 867 30154 327 649 481 67511 640 225 944 4915 733 1730 622 261 485 2463 703 1184 1861 6193 241 553 331 3651 961 171 1063 1994 1284 7668 832 575 747 495 338 1494 280 573 1084 384 5704 1714 769 198 1501 999 789 2033 513 385 345 754 308 1231 420 1024 2251 4366 2263 329 1229 2743 2300 1885 2701 395 2370 2809 289 2436 1184 112 1251 3,4-dihydroxybenzoic acid 2563 4640 9481 18937 4140 14517 5446 17630 4492 3516 17737 4143 14034 3903 2959 4217 4807 1538 5430 8891 2356 6778 11882 4631 3678 7472 12669 3749 7221 5231 18444 11721 9465 6837 3844 2874 9831 6990 13019 4855 3350 4921 4250 7121 2209 10112 9621 3195 6604 7908 3107 5797 8372 4390 10216 3669 3904 2149 2548 3948 10811 8216 4664 6180 4438 8714 10076 2522 5282 6477 19761 6018 1586 5610 3497 3590 5042 4751 11824 5160 21496 3971 3824 4810 8769 14776 2887 23223 6231 1716 2224 9641 9721 3598 4746 1844 10973 3453 4245 5924 6287 9961 5024 12002 10206 3258 6096 3126 26277 5119 7139 3483 9073 7128 22502 27959 5424 47895 7102 1298 3543 10364 3643 9692 30739 2852 8587 6052 7610 7170 5316 7993 12705 5157 4393 7935 5904 8665 10277 4206 7866 7479 6186 3630 8366 13570 7689 6050 3963 3,4-dihydroxycinnamic acid 3912 4650 21167 11360 17724 15096 7019 1448 1328 21753 2351 5699 54173 1244 1820 11587 10648 1677 14959 2334 1544 6573 14853 21675 3228 1855 19543 10945 1984 1277 5570 13518 14774 6058 2463 2038 4105 4445 3926 13171 1470 1884 2133 47472 3587 7978 3258 22625 11819 2279 1504 28239 22909 2143 15499 1439 1967 1703 2512 7804 20311 16366 7918 22018 2690 4070 8268 2622 2619 9020 12594 2106 6516 3893 3125 2819 1865 2601 10153 2268 6372 1888 3674 1429 2676 8913 1001 4826 4769 1475 1421 2987 11378 1896 2424 1469 3140 3235 10344 9300 23028 1172 4419 30078 913 1732 5864 1706 9367 14502 5504 4493 1079 940 7277 6971 2370 10372 3026 1072 13132 5289 13919 8944 9725 6717 6344 3706 6048 12976 2453 7638 27516 1609 866 4900 3693 4189 20872 1755 5551 1953 6234 2339 19391 3459 1078 12439 12370 3,4-dihydroxyhydrocinnamic acid 9410 1973 4881 4165 4915 1220 1562 2125 2971 3865 2132 2088 8696 39253 33451 1911 4242 19318 4397 2593 1264 2883 3402 5376 1133 2015 4814 2738 4616 932 7403 3595 6732 12758 13544 19668 2314 1533 16937 4556 3196 5016 9080 5770 2255 1933 2168 2649 2233 11211 17366 5753 2655 5148 2291 983 5663 25784 19798 4414 3559 4064 4771 5712 18336 15969 2790 31571 1308 1768 9570 1343 22699 1596 1218 3020 1103 50905 3693 2613 2079 17229 2736 1028 43432 2620 11672 18994 1141 22592 1269 8386 10857 19422 8927 57557 10964 2697 3637 872 3357 1108 30814 6691 5600 46146 3523 21986 12863 2040 3805 1234459 853 1808 1684839 3919 90882 14792 1710 22933 785242 2448 16997 5723 10578 2772 2070 7687 2018 2913 20168 4778 14986 1307 2343 55042 6638 3600 7070 8593 22382 51793 3982 10371 4002 1054 8406 4118 22621 3,4-dihydroxyphenylacetic acid 574 173 413 616 473 381 170 339 1226 270 604 266 632 787 848 187 413 147 345 416 325 407 446 386 340 271 493 308 4470 256 962 851 1635 295 475 334 368 127 279 662 284 15906 402 622 551 475 585 248 864 372 424 793 539 497 362 355 257 829 14831 369 545 356 418 469 972 636 71071 283 492 540 34470 350 145 510 399 335 209 3912 823 605 1097 1630 611 469 239 974 206 3213 314 107 223 22148 657 245 273 1208 218 2202 374 774 474 617 859 727 421 2638 1806 198 472961 187 795 9305 385 426 11317 558 48141 56180 279 269 10576 424 491 653 635 605 381 462 74 250 40163 409 566 77 4679 72995 9094 587 289 13330 2229 9769 1316 22849 577 175 318 246 4288 3,6-anhydro-D-galactose 24610 7052 20141 25286 8413 3666 3944 4047 3591 12059 11107 4296 8186 2051 4622 4865 11394 3176 5185 3648 3574 2282 9633 8193 3693 3188 9097 3388 5851 3969 8106 8679 3063 10540 9097 13550 5015 2248 6475 4109 2191 10597 2103 6473 18324 11091 5192 3138 10690 4622 6841 7701 9300 6954 2453 5797 4694 9701 18787 6209 4580 5181 3609 5663 11639 14059 5063 7804 7440 2017 7704 7588 4285 4983 11163 2590 4103 7390 3636 5824 13458 6852 4557 18860 52642 6837 6768 3850 5299 11101 2086 17535 4180 3964 5065 7450 3192 3584 4640 16364 15395 3052 15618 12146 2687 11453 2108 4676 2450 5731 4582 33655 2837 1516 609 12042 17849 5150 2973 10155 13677 2684 11208 7847 3088 17466 4904 2412 4775 7235 4958 7199 4207 6334 2048 8691 5329 4917 5290 13345 4506 8753 5975 2523 4111 6969 4573 2542 22073 4-aminobenzoic acid 1963 491 1443 609 452 769 105 655 230 2193 458 983 1804 225 506 815 965 1063 544 1849 873 463 447 974 2502 934 1647 498 367 399 617 488 429 357 736 347 515 377 309 244 1696 390 423 1384 276 612 1441 353 706 381 364 661 1293 482 340 502 892 1224 674 1067 880 241 233 491 1480 2216 390 892 343 795 405 125 1229 322 1615 905 1166 887 1066 422 492 659 1192 745 133 400 775 1760 166 287 88 565 190 266 152 468 554 134 952 281 2165 264 1079 1041 663 212 579 415 661 256 239 439 308 359 107 840 398 403 367 587 164 567 2548 241 1077 977 416 870 373 406 125 922 237 1114 633 173 681 412 327 233 179 187 789 88 949 174 2116 577 1234 4-aminobutyric acid 3833 1369 2010 4317 2174 1497 999 20447 3137 2432 1819 2629 2614 3218 2812 715 2470 962 3033 1440 2074 994 2076 1962 1408 1836 3805 1733 4393 1142 3034 2731 732 3889 782 2140 1829 902 3658 1067 3471 24321 1690 2885 1536 3263 2499 799 2381 4997 1857 3318 1996 2474 1396 1926 1726 3725 26505 1229 3957 1541 1754 1613 2598 4191 2330 1283 1964 1059 9339 1755 2019 4730 3000 2407 862 60245 1872 2571 1416 41802 1690 1433 2002 5088 2444 49113 3078 1097 512 19375 1285 1878 22943 11393 2707 1421 2262 13209 1655 2059 2949 3510 733 17497 74 1448 5644 1665 76 16488 1289 949 9273 2174 38350 5562 2114 1603 20512 1320 4015 2763 1137 2978 1859 1149 2198 3238 48068 3555 7223 1286 2777 12974 16984 2682 2745 57649 439 16306 1136 2687 1961 9484 3437 861 4782 4-hydroxybenzoic acid 1898 1258 27713 5114 3754 10127 1924 8596 2929 2137 2827 2223 8628 4457 8687 2841 2434 2059 3936 4245 1171 1072 1824 1589 2444 3542 2985 3261 7199 1372 12464 4222 7651 5151 2108 2749 3626 3349 8097 1779 949 10264 2972 2330 4664 2740 5550 1219 2764 3999 4277 546 1393 463 1290 1784 1542 3146 12369 1756 2689 2725 1861 1067 3590 15773 10871 7193 1051 2065 22684 1248 2061 3311 1420 3431 1629 6046 3002 8897 2709 5804 5376 1194 5645 3003 5864 9764 2338 2215 2837 8705 3752 4911 1961 14978 2740 4082 3319 6701 4745 2000 34279 7843 2275 8503 5951 7661 7605 2290 1236 26196 7852 2929 29755 18544 17404 5273 8604 2835 34020 1814 689 2901 7760 6490 2688 2689 5288 3795 10127 2675 3166 8005 1695 9219 5229 1020 2605 2743 1871 8136 3111 22902 2501 11279 6949 1044 8851 4-hydroxybutyric acid 2264 1364 1104 1315 801 1501 587 1018 1512 767 745 639 2063 1912 484 658 701 446 1550 1093 1264 560 1166 1080 437 2080 1577 827 6979 704 1749 2320 1345 945 1117 954 602 844 1238 524 1378 958 1173 1206 1344 1261 574 778 966 961 2881 931 919 2334 815 2315 455 935 3811 2741 1307 659 932 993 968 953 734 535 1027 421 1201 767 785 574 610 1540 345 2538 2606 1058 793 1847 1170 743 843 1608 1624 625 688 543 755 1971 1473 766 1073 1852 694 477 708 959 1186 412 1325 3046 655 1441 607 954 1896 1330 1570 1628 589 704 2195 806 2132 1582 905 456 2753 740 709 3341 648 740 1021 4809 620 1942 1685 2544 3821 1271 4919 4815 3712 1743 3428 9334 703 4265 825 529 835 1912 889 580 884 4-hydroxyphenylacetic acid 4945 2595 14521 43296 1712 15787 3474 11938 9086 1498 2464 6058 2513 13141 33375 1607 2909 3363 10597 6453 2841 383 10490 5607 1747 6761 5353 3149 28409 2625 2906 5712 12825 8421 2991 10602 2959 2995 29621 8541 5125 62493 6466 3654 18569 26264 5746 1741 6299 23573 10083 12504 5324 10995 9434 5979 964 24182 21425 29317 9815 10419 5094 7893 21878 48390 13453 16205 7565 2092 47408 1600 23684 7940 2160 15027 1948 5729 13576 5502 5108 9039 4082 2311 33642 12425 28490 21549 3967 21427 26902 14903 730 30169 10565 15687 21272 10058 8335 60589 3743 9755 508399 12063 9043 5460 7740 180241 125181 6156 5689 4560 4070 2669 3923 5453 32398 203829 13760 7789 27868 5973 13182 17023 1990 9043 18630 16998 3546 7562 73129 14125 28376 162716 38951 210359 246331 15158 13476 3219 7955 171034 2593 18366 1911 54075 10010 2716 39188 4-methylcatechol 699 289 375 616 355 699 142 330 982 458 125 334 599 388 240 368 314 162 277 603 374 1015 1100 428 433 284 894 418 790 281 964 834 801 608 414 577 301 247 377 532 541 578 481 592 596 426 701 343 485 640 262 698 434 463 307 305 443 499 680 410 495 368 355 353 418 327 543 334 367 300 644 258 542 501 545 527 360 1734 345 782 483 769 688 420 188 402 461 542 289 214 405 819 886 241 444 152 391 306 618 797 386 261 790 910 289 229 541 184 859 345 815 679 181 603 291 481 718 78 281 49 410 326 789 663 901 386 390 530 266 374 454 528 499 575 229 402 619 532 505 161 462 89 1471 267 521 275 384 447 506 4-pyridoxic acid 1351 4085 865 1608 1311 784 684 718 349 236 1320 358 654 180 515 393 931 135 560 665 362 308 1027 231 374 696 531 336 206 469 2741 2288 748 1135 1033 1323 618 736 1018 478 429 1023 758 726 805 324 2292 150 343 1207 322 1730 716 678 737 456 656 2510 1398 283 690 465 511 478 906 1690 1813 844 307 537 445 242 1404 281 1120 884 391 1064 379 1040 1732 611 522 255 476 2145 604 93 776 1888 595 1011 630 716 1574 797 1363 315 173 1093 1750 164 1392 1561 1490 365 186 649 1254 2143 1369 992 129 1267 1405 207 846 1215 2204 1594 642 1044 2358 713 2700 2907 793 1197 141 220 317 1355 1453 305 198 237 572 705 666 226 771 467 1081 204 268 348 821 423 969 5-aminovaleric acid 789233 207726 59574 128364 98261 22972 61996 125461 530873 37884 90655 200494 221342 1300975 589395 15549 123144 123422 461369 179455 121468 43206 214234 101622 29720 220224 246038 146426 982878 44594 45807 160975 117342 156667 24746 59198 21037 64389 286659 147713 448687 2546851 85899 243496 39429 346710 43022 27178 185188 132891 560719 64054 120864 252600 129103 282147 83027 148800 914549 235412 237204 113071 129398 119978 433237 298835 454693 103927 388219 20077 391824 180837 269350 342125 124764 167256 44104 3228434 501251 105230 9660 1723873 548261 85468 139101 637379 476893 1454170 773822 167293 19613 429329 324122 256544 455270 483871 53983 206778 209503 405946 180483 248146 249307 344347 43802 1050938 892 192142 334057 81646 341 5403922 93164 80795 4207238 336726 3601245 678415 182701 60118 2781611 215044 150697 292460 126336 106377 84841 52295 209020 332601 2210502 284532 370666 289890 381859 2927853 906493 240747 286090 1107364 62102 2893928 48402 2024509 417203 258950 547535 29559 52833 5-hydroxymethyl-2-furoic acid 3355 4644 6114 6943 756 6543 86 421 757 3947 604 2114 1267 369 2641 1293 1954 1266 1007 369 3714 280 1751 1186 1138 396 1047 579 479 625 3371 1293 1206 677 989 575 1894 406 457 1624 153 1340 895 1316 2212 860 1208 511 807 1163 995 2065 2706 3958 1851 1077 1426 4825 3039 1084 1972 4121 1575 463 2744 5131 528 3245 4426 292 828 1100 1457 854 2498 2574 2261 3542 775 1703 1505 2247 1636 2505 949 447 668 1203 3360 2665 1692 1729 4350 3334 3148 1504 2549 918 471 1585 2170 187 3130 2730 674 972 6882 866 2754 1103 753 541 161 969 1559 2351 2231 2655 3195 1239 509 269 601 5834 520 522 2393 415 881 1222 1200 5436 5289 1600 257 2212 1130 676 6815 1473 691 380 1033 900 803 3218 7083 1501 4971 5-methoxytryptamine 5237 6864 3765 6661 5309 7176 1017 647 6220 2890 1096 6225 5067 736 3306 1578 3601 1153 3537 15356 2832 1604 6662 8776 1848 6261 4430 2359 1132 2772 1896 1472 5856 7965 2323 3339 1242 276 716 751 1668 1844 1635 8002 882 4418 2508 2247 6656 1582 3263 7828 3663 1686 1980 1632 2215 2106 14017 2045 2978 2318 1343 5584 4365 10926 1222 4863 2396 2711 2543 1974 3944 1437 3526 4259 1158 2777 7465 5374 2718 1545 1966 2015 4372 3121 12381 783 996 2674 155 10105 2895 886 655 777 4687 908 6144 6812 25706 1535 2936 8949 5264 2408 478 4066 1254 1920 1925 1581 266 567 560 3075 1546 1518 4667 1834 7602 1508 7152 3969 6852 6850 1705 4883 511 579 2404 6052 3593 8328 553 1425 6304 26016 2948 1732 4451 670 3173 693 5619 2986 1934 2263 10091 6-deoxyglucose 16903 6595 35573 55777 14931 59686 23872 78870 8539 8057 18263 18398 14799 28510 10466 5629 13133 9974 26709 8907 9204 7732 19599 9668 4716 11552 19478 14499 12694 11779 39963 40769 23556 35371 13166 23585 23054 76821 160670 9056 4533 46239 8157 13881 24591 21276 23210 10001 14081 34620 19900 14323 12547 12559 9724 25953 9325 32288 24354 33981 21559 17137 22330 10759 18035 19503 23906 20056 3717 3152 37511 3115 14528 7095 24437 8365 14280 27240 17781 14633 27547 35633 16177 10078 23638 16162 48933 111090 8543 22745 36452 15865 10805 42269 38589 27789 20767 35700 13010 32627 13102 16280 23210 65078 11015 86975 47242 23740 39376 19595 37325 162233 9540 7562 167100 22168 61464 214988 27084 10561 40975 9790 9883 19074 26957 28878 14826 15577 24932 30088 17387 37119 38096 15195 39183 65243 11685 59397 21681 15198 25720 74679 1992 18974 5986 28214 19473 6549 23777 6-hydroxynicotinic acid 885 427 1326 1359 971 805 1275 1278 4728 446 555 992 768 2657 3634 300 750 603 1275 546 548 180 844 868 346 656 5173 1525 1515 442 792 4875 931 2070 14009 670 637 1607 1096 1976 501 2414 745 1492 466 2137 559 321 461 591 437 2619 959 1677 847 306 228 1142 16374 546 1919 1075 615 456 902 15797 1699 697 1079 249 2479 4559 65710 45747 269 1884 269 17670 831 963 663 4335 694 458 2595 4189 1354 1761 3410 2177 633 2813 1122 1273 2137 1653 890 769 1044 3126 1176 1262 9474 1658 1742 792 549 2443 3528 3290 1356 2054 612 478 1745 1695 8991 4734 1193 1981 7237 521 1250 690 260 2119 656 523 1545 1170 3767 2071 1653 2264 3957 9394 21253 1123 1651 4047 16976 1578 23724 493 798 1936 7397 1574 10411 adenine 3572 5220 4460 3695 2323 2066 1060 1165 2502 2888 1524 2960 9439 2300 7856 1830 3034 1293 6081 1280 2319 2182 3666 9687 1200 1938 4237 4810 3900 2015 5315 17700 3561 6013 3406 2168 3408 5132 4124 2432 738 5062 1807 4739 21197 6230 2613 1363 5610 9177 3468 8771 2196 2500 1784 2713 2272 9366 6004 6016 3973 1974 3621 2006 1947 6648 5561 25126 2507 896 5822 3158 2705 2790 3712 2661 1687 2299 4612 5334 4627 12247 1036 5533 8815 6321 6720 7379 2574 2675 4736 4862 3414 9602 5863 5193 6701 4287 1741 7766 3351 1892 4428 8621 2007 24238 324 51128 21135 1982 913 9812 2933 1706 2792 4394 10318 9696 2308 4602 10476 2305 4492 3008 1711 4022 1936 3356 3429 2951 3008 2692 9886 8548 1760 3994 3712 7046 5959 4113 7637 2299 1989 6147 2166 2502 4776 2551 6953 adenosine-5-monophosphate 192 302 877 1434 705 1079 146 615 1048 1396 411 1911 565 415 2568 427 524 212 638 272 1017 2173 998 371 485 92 243 457 255 655 3276 793 1600 633 671 387 723 145 180 1745 188 194 665 896 284 142 1961 2026 1333 1545 4534 8148 794 5818 2129 3701 254 4713 2059 1330 5060 546 1218 2335 160 3136 1742 181 896 1890 5497 4017 509 1168 3562 1076 1730 391 567 1886 6063 1737 365 2807 342 3285 321 389 2787 725 177 8559 7313 1355 7946 2931 252 2895 409 5318 420 950 882 845 2158 512 251 413 1280 258 3583 1069 937 474 1770 436 5733 251 1278 174 1105 113 1901 3476 357 2264 1954 703 254 759 1789 2056 7713 290 1017 3553 1357 4231 3820 1256 1228 393 1021 1812 1082 430 823 1575 539 adipic acid 46861 30126 65708 30180 32581 46290 27251 65305 20454 51957 66410 23450 31551 7714 12459 28206 21586 20015 25442 6892 7582 18839 48545 34317 16780 147203 21527 38083 11665 16023 29572 44432 15033 39242 15512 19206 73267 17145 31489 10084 33781 28265 25168 41334 36210 75967 19143 12684 56856 14861 13591 9747 31997 18051 16704 15852 37224 14918 12344 29053 20943 15368 9175 14901 48369 35886 17820 34216 40896 17033 16729 4182 23798 9929 25374 34665 9240 10905 14481 16958 45450 13215 15419 11435 25040 49392 16017 10241 28425 21248 12692 11592 22011 21698 24145 6336 14050 28989 49362 30107 51638 338673 46375 52560 23011 3047 26162 18617 27082 78186 152879 17964 31969 21633 4546 24518 5381 20888 36733 20086 30517 20187 63460 9047 55682 48998 19407 39568 30383 68627 7774 23686 14333 8462 8306 8288 22746 14325 15535 5116 22550 3319 32619 6229 14629 15871 24261 29066 49838 alanine-alanine 31467 9427 36780 102173 21848 17498 16183 17661 13471 13527 16441 31475 12049 15899 41639 9435 49754 16149 15307 7423 36170 7719 28476 10204 10729 12473 24359 13011 15465 9998 59075 22283 18068 43734 29166 20579 9153 10184 47186 17240 16700 69687 11025 10927 38314 37722 32083 11029 16090 33777 25902 42803 12352 12106 13839 14938 13247 119497 32836 35921 14269 34236 39253 23501 21344 24230 36645 59157 8122 5919 66755 9756 13228 12740 25052 16070 18421 12814 11660 54651 18413 46215 27054 17897 49673 51572 30715 89029 21793 50957 22049 72381 28424 45147 66037 104692 31126 28755 13332 55826 22526 25685 41126 19361 15967 17602 2275 19052 85019 18635 1192 68856 17588 6948 97966 18241 111271 67235 42082 47927 58274 30708 53891 62956 14363 62049 50658 10489 5968 11588 98006 41089 61645 9958 17894 137077 8770 50968 33300 18130 12211 29825 5981 41042 15941 70427 15831 28164 56592 alloxanoic acid 1796 1267 542 1720 1685 5703 3696 7865 1113 653 2982 1284 445 2499 402 831 1090 1223 620 1320 335 4438 2128 926 9656 433 879 1850 578 27003 802 888 1601 8709 6155 4137 4122 2398 2072 765 303 443 1409 889 2553 733 986 1372 1522 3368 445 89897 1980 2032 9375 791 1491 2210 7437 5531 4615 1891 3585 49694 698 46410 16718 3275 1645 12793 896 675 8413 4656 1404 1120 2530 519 1576 1038 5199 1868 12707 1242 515 665 1074 501 5867 1055 7183 1540 978 569 579 870 3809 1176 1366 1838 1096 1217 556 357 2521 493 411 654 898 1225 801 717 2844 1620 3081 2086 4828 1600 1523 1848 15264 633 1418 8059 1648 3191 6759 3788 441 2467 1651 192 7616 614 985542 1228 12015 424 14324 67315 17571 2358 37325 9776 1230 2586 3420 422 1635 alpha-aminoadipic acid 2388 2023 7905 6355 4386 3583 1349 1381 3216 6189 1051 1619 1096 790 7930 2596 1256 773 1090 1014 2976 881 1430 1164 2453 827 1145 902 2017 2305 7684 1465 2431 2306 5883 2268 2348 755 1652 2186 1517 5828 616 2169 2046 1901 3388 3472 969 2810 5855 6145 1917 2383 1165 7290 876 4915 3677 2265 2769 1609 1891 4384 1527 6467 1958 8441 1074 2617 2143 1824 5336 2733 1695 1219 1095 1584 3928 2979 2497 1659 2515 29113 3657 2657 16999 1276 1534 4250 553 1771 1669 4942 1635 2970 2554 3045 730 6069 1398 517 4911 2253 5377 2038 183 3149 4578 943 109 2254 581 558 1351 1558 1836 3851 1722 6455 4002 527 2070 5054 636 4148 4012 2214 533 1827 1410 6733 7837 2048 257 2166 2285 4868 3807 1063 1309 2296 3041 1378 2759 3456 2349 3092 23170 alpha-ketoglutarate 2754 319 692 859 603 407 187 336 267 960 264 329 1737 196 3222 1079 64 151 696 313 79 99 255 1208 228 283 352 282 90 155 501 970 345 1726 201 481 317 1225 1073 600 82 460 283 417 983 526 577 162 314 3955 631 309 1144 414 240 534 163 11092 443 183 1994 362 190 285 316 656 212 198 1420 148 245 1284 208 220 649 210 237 203 4202 565 577 94 203 794 1576 542 1187 3287 158 238 1285 344 1707 411 300 726 392 919 87 319 365 215 538 310 682 784 8930 2061 399 436 1137 180 95 298 163 440 265 523 973 335 634 77 251 518 182 322 664 302 4747 1206 60 346 303 3545 196 82 568 1424 817 1231 2121 1349 302 99 407 5408 649 274 3064 alpha-tocopherol 19996 19064 122169 116705 9044 12079 11277 16218 14138 10253 14760 20097 29074 6804 5053 6067 22665 14110 12421 169471 6156 23658 43695 14498 17189 161598 27961 11547 7346 10043 17330 30879 8644 39663 21684 56206 12428 49508 47459 32037 25811 42399 25571 131368 29614 187142 31922 5862 139818 103816 7480 14984 12673 28697 15504 40644 6641 32020 3604 76834 8741 13174 12830 16446 11289 30504 12173 25250 64160 15356 24404 23413 281750 275270 17193 9290 17322 5139 8590 8753 69070 6412 13569 2057 7774 14192 7016 3219 7869 3509 386680 11615 9674 7265 4446 13467 290925 1132 21808 13206 14792 19356 28668 11298 16889 1325 13892 4440 11577 7478 5215 8449 10735 4425 7672 8325 8469 12599 11185 64184 6608 22584 12262 2019 86881 25429 8102 21148 13478 31796 2090 11939 5885 4813 2132 2037 13784 3423 8845 7348 27729 6554 24425 2123 19580 4450 14607 5520 46472 aminomalonate 2103 541 4133 4029 717 1230 370 2379 727 2178 404 3587 1866 3015 2644 1359 2447 2783 3570 2269 1417 489 995 1545 622 962 1703 661 1038 244 1959 852 729 1602 1036 655 822 845 1755 595 577 4406 504 1195 3993 1853 1164 523 1022 2789 1003 1098 1464 986 357 501 560 3347 5539 1200 4951 1067 1037 610 4587 3034 1080 1697 86 309 1753 100 2534 739 1343 648 267 1226 2143 1058 549 2617 1073 1025 4083 11782 2414 2457 3446 1504 630 1609 2934 3159 971 3271 1115 1643 3722 2161 1289 802 1481 5094 860 35061 1049 3524 2020 423 669 1308 614 524 503 1558 9451 2663 1858 1189 2084 556 3073 2178 309 3515 1909 1677 1551 2065 451 1883 5711 1645 514 1127 1705 2498 2714 685 208 7855 546 850 408 8040 1679 190 4254 aniline 2154 853 1698 923 448 1108 781 861 895 1324 1254 522 1596 917 1074 996 1165 959 406 1011 285 1038 1023 720 1440 805 1867 680 936 1361 1140 581 1377 1631 588 1270 845 1041 1936 845 1070 1756 1155 672 2688 790 961 1161 681 1217 779 251 1080 927 830 624 1005 1546 767 279 766 699 817 1013 874 1041 1161 1124 795 835 1020 753 476 641 1083 662 1213 365 1104 1005 1250 597 760 1024 1689 1445 2216 1077 1237 1247 1718 993 623 1384 877 735 1603 594 991 1290 1162 1024 1113 781 1591 787 1699 1310 1058 1394 577 1138 783 1317 504 1059 712 1089 928 1336 1178 568 1363 992 770 1360 1064 1192 940 1056 1015 1177 1111 3613 640 1099 753 1226 493 1029 562 754 923 2377 742 1232 2437 847 1400 arachidic acid 134412 450711 69257 50915 140181 50773 107922 118201 95097 358042 56286 182468 291375 67737 49717 223057 57655 88515 125998 176353 113954 189418 201280 471937 159463 176252 83284 190246 41334 141385 178589 79596 78275 42683 96595 49003 435608 127579 60282 109634 196976 34574 58848 191288 56107 75965 74954 187541 124951 68764 115110 260961 238303 138347 300747 192267 72133 60726 35487 127096 447202 129322 109985 147403 46387 88220 75436 41471 409209 735400 63473 180181 51741 448053 398307 130232 483800 30053 386189 114083 86749 46974 64311 164632 51905 45243 64033 49490 226360 60871 73753 91358 158051 87827 85867 43441 49772 117194 54466 58642 61954 211256 51667 79703 97152 34645 127472 53347 93889 75344 202353 22609 223851 75866 46025 129929 34327 50632 161346 89732 36190 42830 40038 84181 147768 66034 68166 123508 153603 97225 139714 115588 92727 47768 1207178 146534 95522 72498 72685 178326 279575 28315 664265 33417 192784 32786 89481 216564 55063 arachidonic acid 1053 1432 7424 3245 2545 8630 744 2048 79915 17933 1284 1227 1472 14336 3548 2718 2993 2043 2749 3268 8184 484 4951 1625 3568 7661 2813 3443 69905 1459 7239 2674 1763 5282 5663 3102 1040 1348 2892 1730 1753 5311 2057 1485 1743 1024 343 4832 890 2316 2106 41585 1780 19199 1867 2955 5013 10316 4450 6368 1450 488 13406 9018 1883 10906 1824 4346 3071 13477 2449 3142 1599 936 2780 2518 1825 64607 3254 3786 2432 290141 5370 3856 8377 20215 2196 5253 2972 2124 4604 3350 2404 2134 1288 4902 20006 669 3144 4798 2864 1163 3297 1808 1452 4509 1418 3491 8454 1596 1199 869 937 1066 6051 1269 9403 4229 3119 5871 1536 1016 1918 5099 832 2542 10959 2813 1569 1437 3524 1634 6220 2584 4001 5455 6660 4486 5458 2031 42663 14092 15867 8758 4237 8996 15971 2026 26174 asparagine 2180 737 4349 4236 1718 1523 2235 1444 1456 914 975 1317 1231 998 1563 450 3601 1337 694 669 1268 409 1778 1084 1593 524 1349 1087 755 1028 1571 1674 1834 2449 1148 1354 1013 774 2168 1131 729 1099 647 1324 1750 2172 1506 796 2164 2353 1197 5549 1167 809 853 620 1530 7891 141 785 800 3656 936 1025 1633 1268 2170 2376 758 135 1888 641 2104 652 1241 446 474 280 392 2003 1125 257 580 1053 4866 860 4642 3394 678 2242 1797 2039 1084 3400 1508 1931 1105 4082 2491 2980 1302 2071 2013 2441 452 1988 1540 3166 3626 974 995 3955 1186 441 1826 1630 1852 3444 1241 1766 804 668 3004 1753 805 4877 2578 532 741 1001 467 1128 1671 975 346 1638 716 802 925 1222 215 1501 182 154 631 4134 1993 321 5601 aspartic acid 83228 45569 114218 157554 69627 22846 32460 22890 15643 114322 27746 174223 23401 87763 478146 60386 89199 195423 21100 142717 129922 29206 141527 45640 29453 47936 20911 200455 124337 19652 77627 39336 77432 75344 131851 30905 48365 14199 59800 87709 99877 93322 23950 45354 83196 95828 77293 145980 84207 77098 109450 182058 118896 122618 37536 67020 132743 130865 163488 66728 248254 144280 81694 81879 260884 221194 234156 88190 46301 4876 91635 50067 60035 42203 81175 62564 120503 35913 61186 68860 29407 129872 31391 172195 67672 103772 134293 124108 43304 113345 43876 213733 90427 179756 47372 251700 46302 163414 115504 329407 30887 99900 115184 75601 23131 130589 37596 227062 225746 28364 34796 173401 46530 9673 142596 81906 336571 98465 73241 229893 182955 28680 114019 136200 47336 194592 252894 74228 63820 64966 71574 242066 193630 92764 119090 141401 74372 161069 83907 111834 13933 277653 76524 131747 37588 392574 300199 82845 579967 azelaic acid 18427 10336 4566 3265 3591 2063 6582 12454 2075 3304 8518 4084 5896 1403 2882 2198 4627 3680 3763 2223 2737 3698 2945 6855 8781 4389 9584 7191 2225 5104 3667 10046 4511 3694 2366 2069 2886 7026 3511 3077 7297 3083 2501 2020 5008 11672 2679 1748 11194 2758 2382 2728 6150 4747 6209 1989 8529 4393 2120 2014 3226 6028 2192 2411 10498 3482 3250 3036 14994 1942 2201 2030 1954 2195 11663 7245 6826 1596 3613 13234 6622 1307 2839 2015 3930 5705 3506 1989 2398 3160 3300 3039 2176 3532 2760 2476 3654 2815 17251 3868 4070 9441 2265 8458 8523 1385 6795 3837 4808 3987 6745 1785 5138 7515 1044 3357 1496 2987 4136 2410 1948 5859 5982 2680 15110 5258 3294 3164 14299 16277 2848 5052 2936 2842 1931 2458 1575 2175 2216 2420 2056 801 3167 1072 6474 2405 5637 1788 4240 benzoic acid 83994 69940 126565 157359 47320 161976 65362 62714 132176 33430 165982 31098 52450 75176 101346 54870 25545 25709 23207 27617 72235 38120 40296 34458 72500 59008 284717 63031 105540 81791 101612 112174 177091 158497 33035 240421 60983 81602 146205 56854 50087 119884 98819 15296 214009 72206 80154 30663 28545 85144 17414 18035 28304 22896 33662 16858 60540 107755 21973 18136 24951 59445 52142 50555 46168 69941 75945 68886 18099 63892 74719 18681 49993 63146 26176 39934 29730 48085 30969 88691 74388 19183 32086 20597 105242 61889 69608 25457 27114 40967 75982 54571 17733 130549 53743 49201 54218 20235 33788 67161 121071 35228 60554 45555 16734 13647 59445 125469 69354 58719 21353 46689 27357 59556 23930 291629 25624 53988 39017 41325 34819 36613 60283 41328 40977 33021 62000 22591 20271 104071 49001 94970 28157 78508 56546 31707 17564 74859 23953 22992 18248 14146 41705 22672 26236 64173 258504 27193 34785 beta-alanine 2794 2861 5426 12224 6146 3116 2779 5065 40662 5634 3933 11872 3189 47357 61469 3310 2666 5492 5569 4873 8870 3008 3759 7590 1551 4415 7692 7883 176516 2532 7733 6586 6610 7748 3380 6373 7213 3722 5726 4817 2431 84418 10739 4491 8763 3995 5136 1640 7001 18952 12257 2944 4666 37216 2272 8776 3746 15180 126089 1560 15537 5299 6076 3138 7480 17872 12552 3989 4621 1157 7436 1728 27794 269165 9999 2398 1499 29962 5771 923 4830 29782 4133 5540 14042 12176 15426 10313 4367 4393 2270 51651 6554 7969 24257 44038 10067 5654 3134 24423 5253 6864 10250 15363 4171 15474 230 10644 27060 4179 135 53164 5191 9327 16071 11734 41501 24340 25937 3031 39416 4217 7077 1928 2861 8467 5377 2385 7162 17002 54948 7589 27297 17901 6137 64616 144361 8325 13328 9946 108811 86142 50858 26000 4293 264040 119248 2760 679605 beta-gentiobiose 103 77 57 306 31 170 173 98 614 50 179 94 407 215 40 19 1537 32 133 110 24 44 27 221 166 134 633 162 137 56 276 5882 841 20998 141 238 116 983 176 51 264 97 324 217 281 627 224 76 631 151 20 154 54 111 341 178 2524 162 1342 166 229 100 113 66 878 439 5098 506 151 183 307 1255 70 128 105 240 35 143 142 345 152 199 2259 68 164 1197 297 420 339 186 6371 428 189 15 2064 235 136 217 3088 112 381 259 600 194 44 9487 1345 277 244 138 271 305 200 175 867 215 804 639 3023 111 103 118 155 130 154 675 133 970 188 1113 205 125 63 157 372 76 137 89 133 96 1911 179 115 81 221 482 656 129 41 beta-glutamic acid 89602 19559 107659 79463 13683 15555 23533 15058 7264 12486 25963 76664 251361 5419 6068 8217 23167 73720 195785 11366 8695 28794 35414 27398 9949 7332 8460 32350 4120 23020 53146 48347 1591 28791 58727 32361 59518 49973 17180 49950 11900 6012 46439 62941 14446 62512 49291 27115 148552 23782 7506 24965 30838 33077 20144 10114 51365 75499 12697 19822 26614 52889 63819 174157 174697 31329 3782 70588 19683 32483 4084 42956 18895 30380 18462 14510 72608 491 30792 20777 18445 680 5134 53157 19067 56894 90711 2830 42796 29656 15311 13927 126242 66119 2622 4048 31780 60803 95660 16767 38316 37532 21727 22615 117877 1645 275 159233 12349 28631 76 2936 17958 13992 558 17896 3699 7042 21285 46757 4354 23520 24861 21263 62964 99167 50279 17052 31969 41059 514 45361 45998 62904 8300 953 2336 6261 85585 5842 84193 913 91367 2405 31242 13165 38376 55790 49358 beta-sitosterol 4346 4806 51870 53787 10731 41414 9128 13776 51048 1085 12666 55247 7877 53940 2041 1774 10816 30388 7676 3546 472 63199 7335 12909 7686 4212 47149 4053 23508 15502 43119 50228 23922 14650 47263 35154 82247 43391 57070 94449 1546 45256 56990 4025 41920 10319 23061 24729 7094 47328 6585 60294 1552 61496 9241 6059 5055 63785 26588 10105 1536 37281 47324 90054 348 76480 44105 34759 2496 49137 38924 1922 10766 7916 5691 24110 45515 15594 57053 23114 7749 21537 4807 26948 35647 56868 41951 37600 54490 11382 44946 106304 53578 44547 44592 18273 30653 49433 10489 28825 2684 14721 27070 4433 14804 27477 8021 33081 26854 8811 19222 44838 10007 13673 16082 10730 46691 43505 54676 56521 30238 15702 25414 12237 21294 46760 9463 46645 5911 9293 42083 11813 8890 24825 69864 36374 28152 23546 47832 48419 50379 11268 84607 16532 46310 17668 18530 71230 22944 beta-tocopherol 682 726 2316 2068 1164 724 349 578 604 766 1741 1102 1274 467 388 740 685 961 712 914 610 664 731 942 1235 777 638 419 328 385 845 1071 597 1431 1073 188 367 501 431 1211 559 561 1481 567 7114 1940 825 386 851 1048 390 693 281 1902 716 642 844 535 215 316 447 697 302 926 846 335 490 1491 1075 791 771 485 58 616 1514 244 1673 394 652 1144 862 102 374 222 652 728 279 156 370 314 550 633 222 408 194 304 544 163 1228 565 884 989 1660 699 438 154 589 563 544 722 266 247 382 457 298 356 679 423 517 436 325 210 1203 312 397 2016 555 689 661 745 74 483 154 421 525 157 532 222 246 363 628 118 396 5440 489 292 967 203 677 biphenyl 3564 3583 7652 11037 13192 1935 6290 3205 8859 5911 1059 5423 2225 4594 19467 8853 5662 4951 2575 4075 10940 3136 5439 8933 3838 5262 3335 2692 4626 5990 17732 2493 4064 3536 6318 3192 5216 3202 3137 4949 906 8405 3373 5476 2010 2496 8717 10400 1909 4665 13110 8722 12978 3798 6901 8880 1936 8797 9994 6354 12032 10173 4044 9493 9943 9475 5354 5951 7238 6831 4976 3851 5764 8808 25225 5409 11858 2326 5107 9285 7937 2438 4787 17735 3669 7587 3851 4187 7226 6595 1852 8308 8074 4840 5645 2591 2005 5189 3270 29578 2486 3729 6760 4002 4968 5549 1129 3841 2881 2652 541 5372 2313 4482 2891 4596 6531 2919 3927 7033 2957 1548 4610 19330 1753 8076 10020 1324 651 3527 5466 16057 13284 2072 1205 3285 4774 9327 8183 2852 770 2505 7956 3745 6149 12791 4602 4945 4112 butane-2,3-diol 6116 3132 3710 9973 4388 4256 2489 3868 9238 8233 4324 6517 11503 2956 4004 7137 3171 4824 2811 4506 2083 2692 3107 9963 4990 5392 11239 3648 4242 2797 6309 5243 5144 4891 3182 7831 3977 2041 17319 3900 4703 2771 9936 4686 17266 5327 8468 3764 3719 8019 3262 3758 6303 4503 4023 3075 4703 6049 8896 3566 9447 6578 2783 4521 3799 5218 4610 3858 5915 2755 5787 4825 5302 7240 5070 3108 6734 6260 12123 5974 7582 3424 3402 4711 8085 5306 12730 4114 3733 3780 13132 9741 4292 3539 11304 4720 4792 3417 3237 5378 4520 5029 5930 2029 4805 22638 4144 19775 5290 7606 3627 19915 5189 5927 2514 4767 3922 3181 4055 4827 10783 2655 5187 4542 2772 5365 4477 3356 2669 3056 3593 5030 5666 15996 2269 4622 2668 5421 3516 3305 2045 2161 3315 10250 4248 6266 11708 5243 5916 butylamine 818 539 846 845 571 597 403 421 567 721 956 461 919 442 727 661 627 527 502 512 654 627 737 660 508 399 1502 414 871 645 950 848 906 1040 494 1216 885 653 1390 572 736 1416 808 703 1998 1307 1337 832 639 832 497 614 816 698 594 493 795 1131 726 518 634 547 713 856 753 1243 924 950 645 511 788 546 796 647 788 635 661 986 737 1020 920 341 743 628 1270 947 1222 965 728 680 969 988 666 977 745 914 971 704 812 855 975 862 1346 599 574 450 1170 1582 971 874 1145 895 576 786 618 929 1100 993 543 794 601 573 883 891 685 1032 755 785 860 668 617 830 809 2069 544 691 532 867 783 867 691 485 828 453 629 782 1670 515 1181 capric acid 6053 5880 6935 7386 11736 9392 17759 6333 6137 4014 45608 2682 10832 4143 3280 3521 4343 3239 4750 2813 2961 5883 13415 5682 19965 4216 20932 4772 5767 6486 5735 7036 8217 10726 3477 8445 5954 5794 13496 24838 5428 10772 20941 3796 15131 9011 6735 4095 3842 10508 3976 2657 5521 3375 6936 2482 21483 9630 2672 3841 2921 6002 33619 5952 4515 6030 7571 5876 4884 4888 7461 5834 7906 4742 5427 6567 4615 3706 4440 7293 5505 1811 3504 3081 11277 7363 10611 4117 4788 9293 8802 5831 2775 6639 4304 3846 12912 3710 8323 7592 18206 5570 6222 11558 4773 2901 5706 10436 7266 16288 3864 4601 6484 4711 2622 7156 3790 4196 3957 5760 3733 56831 6315 4539 8698 4269 5881 4110 4419 9255 7812 6641 4395 12771 4568 3977 3001 7898 4103 3840 2938 1956 5452 2527 3665 4705 10791 5257 8370 caprylic acid 25070 18773 29192 22519 28599 27232 18159 13802 41161 19701 55778 15585 28190 18475 20705 19046 18624 16208 9403 15469 12890 25105 23457 13047 22064 20425 70277 17062 23541 22758 20912 27471 34980 30101 14431 29115 20179 24885 51781 20812 24908 49619 26372 14372 75892 75292 29917 21316 22370 41995 15567 9052 19895 23018 13716 13424 34592 44473 15161 13156 18917 11593 28881 19359 22140 30653 29785 35471 16135 19919 18343 14409 21538 22329 22688 14437 19848 14682 21232 24139 35306 10113 16358 15372 54000 30609 48398 27536 21523 23083 38071 30748 11599 31476 20402 18944 30059 21232 25293 27524 33971 28157 25314 18625 15114 16378 26110 53075 36738 58279 24672 22348 23686 23079 9006 29248 17964 20284 18262 24036 18826 21608 55103 18892 22093 23804 27836 23869 15230 38578 23801 36188 18878 56428 20475 19754 12570 27997 15384 17304 12633 7560 19424 18308 14061 30555 46744 14790 30101 cellobiose 2400 2293 2412 1169 9295 4510 10959 1385 948 12420 15312 8568 515 2203 13729 3659 15800 12823 1193 446 6356 9981 9145 6541 8468 3557 23141 5294 5768 11785 4369 16501 50220 37318 3942 4799 10413 38000 15303 4814 10737 18702 2248 7036 106299 909 19163 1379 13016 37617 10825 11518 5105 2997 11781 5128 6430 21435 16671 29102 2145 11472 13329 2702 4186 2512 77310 8255 1675 5027 33641 569 29639 6178 12944 5202 8858 9060 2265 11971 213356 1827 6233 1976 1862 11835 57399 9037 5605 8601 5676 6367 4022 2205 40782 2537 1032 10689 1846 6803 7073 1045 28806 10075 2867 5861 407 3546 3931 3973 2270 9096 10040 2922 8241 17077 7168 8195 6412 629 1102 1026 9341 15179 5042 49228 6483 64125 2023 4126 1927 49522 20801 4161 46899 963 4486 22763 16687 35630 1214 20211 3703 979 348 965 10857 1547 1305 cerotinic acid 654 1034 1285 1481 2352 2331 528 1410 1740 1926 929 1373 2445 1002 585 1131 659 557 1187 828 512 1832 1385 2208 520 980 1265 1276 599 542 2884 5214 1866 1560 1213 1745 3484 782 1840 651 975 2275 822 1176 1570 1684 814 1403 1954 1265 1087 2757 1051 1373 1471 2242 1436 684 551 1154 1413 218 1103 1475 778 2219 1850 358 1980 1670 1583 1080 556 1462 1369 1350 2265 1309 2889 2712 1219 722 1189 1086 1625 5841 2235 856 1088 522 1564 2470 777 1434 1044 245 1459 921 601 1184 664 1046 2074 1220 572 301 1282 651 1754 1010 1061 792 1257 1641 661 1019 1546 1022 1196 978 465 648 949 1043 786 2542 2271 1467 1886 1466 458 2211 1142 1728 826 1184 795 1023 1427 493 2060 506 2416 682 2313 805 705 1519 1763 cholesterol 16951 13562 276576 665252 61089 159309 61014 23749 613403 155276 44110 771524 63714 304674 78089 38372 140284 609482 117186 13248 63118 580987 100299 15046 95401 10471 253161 45076 706926 22896 203050 351468 45937 78329 434813 198270 388877 302178 422768 494070 43280 645577 1059462 61837 383550 69815 271505 606545 22833 1069775 33410 472586 12124 867441 35826 34907 67035 471463 261246 136913 41379 165730 725290 660896 56137 470994 192855 352295 12336 517988 365560 167156 131418 50857 59545 128007 378206 193979 385507 328975 29548 184800 31543 392968 459676 301264 672531 340964 407643 123946 258004 316756 987638 834576 281548 255719 370157 415018 35928 963089 51271 106095 689067 56262 57386 128166 97443 711651 144775 49944 135471 245228 82688 45961 364549 49369 371377 360899 292817 379340 282366 109579 176881 138707 119949 374308 115205 552441 40204 91943 230720 53397 51531 1104200 229412 239193 619680 365673 523379 333285 373777 286053 399053 199194 154683 174088 80926 461511 219884 cis-gondoic acid 2478 2541 2681 2521 4954 4997 3748 6861 1750 718 9967 2740 2887 784 1725 1645 2558 1322 2607 780 1541 5568 13064 4133 3352 621 3243 5316 3705 4986 5006 3529 6442 2285 8026 5805 7140 8901 2653 1653 760 549 777 1001 923 12643 1666 2070 20079 1789 894 11497 1891 3404 47962 1824 1730 3512 4406 7605 2028 2329 4208 16180 1539 11533 4656 2054 2524 56598 4105 1710 4596 10988 3766 5683 5737 361 1158 2796 2543 2513 1436 3429 2395 2715 2819 1121 26464 5533 4445 1666 594 702 458 420 5186 1338 6853 1319 1905 2039 1008 764 7380 427 1468 1465 11394 8965 6480 659 2424 1715 1085 7706 288 16245 4457 1614 5896 3263 1137 8359 8130 2742 5875 1519 1589 1562 9373 13171 15492 1141 46200 2245 5502 4864 3756 11629 23665 1410 18537 2253 7124 1427 3611 1277 2105 citramalic acid 940 516 1219 1572 758 1034 329 758 906 1752 597 376 1795 562 787 871 754 358 530 322 379 716 1330 435 447 1223 1600 673 848 856 2254 878 1236 670 530 524 1560 4300 1016 577 941 2538 650 1408 1096 1362 1297 663 1762 1347 715 2783 862 797 1471 410 651 1171 1573 561 1155 325 698 1426 1182 1616 1102 730 1284 653 1035 760 623 1052 1548 1073 1410 2451 806 1186 1719 544 459 539 1024 741 3082 838 409 659 697 1212 1834 2858 811 1152 498 724 833 1176 992 717 833 987 592 1468 2197 4452 849 530 496 30654 1357 426 1148 776 1558 1321 723 356 21375 564 3489 1408 668 1385 1160 1293 237 1331 473 3930 823 7039 823 1259 1678 5573 618 405 295 757 581 255 416 1100 2255 510 2481 citric acid 4189 1144 5407 36122 1529 7592 92 6445 730 9038 3986 4307 2203 5481 5426 1402 1176 6404 2835 1122 2417 1663 1738 1166 2819 4151 12741 1637 3913 2526 18148 9217 39500 13636 1767 4278 16004 7670 12577 3033 1974 12779 4637 2762 64377 11689 5712 3702 5403 33170 10644 9468 2486 2206 2026 2128 4169 57072 6301 1318 8194 4422 16721 2806 15787 70334 3245 9117 1265 692 9331 3761 135 6993 7321 1964 4010 3573 6157 16912 22055 5368 1137 5844 59996 25443 24675 191087 18051 2991 28220 57461 36355 88469 19823 30075 9846 37005 1174 65278 5395 4326 15893 1267 12575 10493 430991 24873 47584 5611 1238273 1450 3035 6872 9198 12231 8028 43949 34911 2173 5078 1102 1927 48499 2075 47846 23788 7472 48900 14040 4126 37227 10926 120514 15754 7687 3132 21945 7409 112424 12817 1788 6181 6641 1649 79761 19013 3896 66623 cysteine 3369 1596 3992 990 1525 825 831 698 711 2353 734 1632 2887 1988 8722 534 4434 3125 980 1051 3408 685 1679 615 668 742 975 1218 3807 887 1543 1169 1208 2697 3163 2571 1368 1558 1214 2891 3634 8413 161 939 1599 1667 2362 3785 1118 5249 4715 1591 2084 7879 543 2141 717 3541 21726 800 1654 1273 1092 2628 5452 6501 1677 4881 620 374 1185 733 1549 441 3705 566 428 1847 1239 978 1386 1595 1168 7186 4403 3414 6705 4721 2073 1150 1220 5314 1965 3366 1165 8427 2394 2744 2247 15085 710 1378 2622 2577 2113 12286 12464 6726 4043 959 677 10995 457 376 679 1322 5373 682 933 3958 12661 328 6404 2066 623 13493 4291 4703 283 741 2230 5509 4186 2101 380 4229 1492 5207 2621 5313 809 2534 3961 3907 687 6995 5029 387 18514 cystine 5862 7181 489 708 1128 741 233 405 1036 774 185 870 872 744 386 786 637 27980 480 290 633 531 522 560 263 611 3658 568 436 217 1335 610 22170 210 381 661 587 475 252 351 162 912 274 924 301 224 318 814 534 6949 1998 887 422 974 677 1400 293 594 1342 274 795 605 796 507 592 798 307 2709 8212 229 1226 3817 61 210 1128 212 411 647 825 272 126665 642 200 785 602 987 1222 1294 735 181 281 2559 790 563 1101 712 341 463 371 1010 1036 171 370 1039 3754 574 1905 169 1440 931 4470 905 407 215 230 1223 752 219 496 305 928 10198 242 1800 5153 1011 463 562 260 734 443 2189 1841 267 1561 861 742 1913 842 948 634 797 755 233 948 656 217 251 851 cytosin 664 477 1287 1055 1177 611 589 767 608 622 520 813 598 443 748 545 556 349 435 564 1183 485 539 857 528 381 715 1733 542 597 1085 1339 837 723 818 671 1097 389 627 420 290 931 647 942 832 635 2730 464 596 845 590 1002 758 625 575 688 405 1039 1193 490 910 646 577 742 492 1008 570 431 524 317 799 401 274 432 627 527 679 1758 554 970 869 993 389 484 466 802 660 794 597 319 430 939 525 773 891 700 492 416 334 932 1171 1076 838 857 360 618 376 470 1160 810 244 612 472 573 500 658 996 646 874 1463 389 268 564 900 454 825 624 599 359 1196 1001 759 1987 1203 401 906 592 2020 742 419 439 307 332 509 552 894 984 560 1373 D-erythro-sphingosine 3580 4405 7929 3133 4085 42497 1893 836 82880 2172 1436 2346 8779 28289 6800 2279 5575 1050 4627 3478 15303 14013 3623 2329 9050 1144 7797 4553 25409 4040 6406 2689 15114 5923 11063 24485 6615 6649 24444 2265 2294 26611 2544 2332 9280 1661 23274 172486 1412 51216 6932 96470 1197 7550 20541 11564 2270 9967 28602 25369 3831 1080 8724 5906 1940 18538 23862 32427 10091 24865 43789 9246 5608 12982 14171 17326 5132 2549 2054 2385 17931 12901 2828 4417 17961 10157 25609 6439 13654 23842 2892 24176 5872 2905 20777 79406 11231 2345 818 34650 4618 2319 45269 3340 2716 5403 208 6580 46702 1610 6633 9509 12316 2024 8801 10592 9865 20552 13669 15074 6639 2445 5869 48758 1908 4005 87499 2909 908 1799 3311 5831 4675 7860 19440 10354 28712 6421 8605 8271 104570 11595 30203 23621 8314 1980 97074 5538 4152 dehydrocholesterol 2408 1752 3708 3498 3279 2075 363 1252 1619 2140 1311 1244 4458 658 840 438 3937 360 1174 2832 372 251 1337 2726 13777 2631 1036 3874 1350 925 8634 6055 1000 3258 1028 1756 964 2117 944 451 1408 2492 2063 1987 3390 3039 1888 546 3214 2644 681 3949 1439 9457 2372 1428 1080 594 5972 7250 1804 1550 8447 692 1964 2074 303 7452 4220 547 957 1817 3192 4610 1489 349 425 4527 6476 2871 11731 434 2313 647 1181 4323 1143 858 458 961 701 708 1359 246 1335 1010 4401 1008 4186 6110 2842 2570 9217 4328 673 346 570 931 3596 1526 2843 2166 1519 774 897 5893 1207 1501 1172 920 429 440 5827 629 1713 5779 688 11647 1191 3084 1210 1347 339 3011 2583 297 4415 2346 671 258 4502 2379 1522 4141 811 709 1392 1975 2606 delta-tocopherol 7228 9144 14883 10805 5451 4360 1124 2352 5355 8491 1977 14912 11492 5611 5935 10589 5801 15981 3212 3065 5408 5995 5153 17722 14038 3328 6582 5555 2342 4037 10684 18696 1970 8505 6816 4589 5999 3244 3602 10185 6279 1810 21041 1958 1003 6784 8589 1758 2950 6591 3285 9268 5790 27401 6189 5430 15132 5414 2564 4658 3688 6711 3505 6471 15364 2089 6160 11642 5868 2057 6103 3528 1368 5064 12499 1912 20151 1045 14654 4724 4443 1449 546 1573 8913 7647 5414 1900 4314 6337 1456 5052 1228 2681 2349 3778 2010 2192 8340 7561 2727 6324 22697 5565 3128 301 2222 9825 4785 6903 7264 1286 6138 2216 4158 4762 3358 3334 5371 8225 512 3696 5782 5027 2702 10852 8541 4726 10903 9310 602 8728 1526 4135 1696 1613 4660 6212 4615 2456 12485 1464 5032 3654 3422 3345 13822 2335 9695 dihydro-3-coumaric acid 9862 3551 2608 4291 4114 6938 768 4234 115626 934 5587 1208 1640 87293 68080 1241 781 1100 2518 2979 50853 4227 1652 836 771 5785 44314 1553 61045 1361 763498 9964 17819 5207 34695 1092 153232 6298 140480 1705 7962 428139 2868 2014 281882 8972 2408 1533 3707 8308 3449 2356 3662 9109 1371 1545 1741 1701 81026 43458 831 1293 3666 1826 2209 202788 91927 147754 460 3078 1309530 866 56191 96555 1105 4413 1062 85776 7530 5480 3495 50436 25750 430 1370077 51353 5090 636797 8050 1140 18914 263535 2586 5014 50985 151599 4497 297222 2801 362140 2165 2554 544085 7318 698 757 4183 83730 13657 2790 3070 6670 2221 945 510041 8144 48220 29505 2566 150433 23566 7592 8479 4494 2605 10266 914 94123 802 3921 298090 712489 12299 13642 47269 389469 104972 135579 7033 215164 70263 13320 24751 117642 4258 193049 10156 3474 1340 dihydrocholesterol 38573 18016 34326 6487 24111 14009 14110 22483 3911 41117 18851 12848 37232 2262 12557 22718 26430 9157 25982 18814 15203 2147 23699 30468 35399 7322 43271 25121 3413 14083 36718 35150 15270 10588 7253 25864 9043 20314 26499 8648 39669 5144 9797 24264 2671 43181 30102 23765 27181 18028 10508 4788 29035 14418 34816 25151 27532 6611 3067 17391 23055 32987 9025 16936 30043 3699 9964 21281 58514 4374 20686 46702 12362 25629 33194 7965 16410 1262 15700 32150 21350 1217 16726 5427 2418 7180 9139 1393 4010 23425 14478 5182 10364 6237 15383 13311 20803 3684 29455 4770 24795 30597 1781 24616 13879 1026 23421 7112 9564 29285 9265 1680 11956 6574 995 8838 3052 4441 28686 4958 1861 7711 34412 17184 17570 2386 34045 9721 27629 40629 621 32032 18727 5382 1151 955 3561 20889 8717 1078 4465 1480 7731 5172 4513 21572 37824 11608 47224 docosahexaenoic acid 20329 2109 7688 6285 2665 4823 1302 1476 11414 2278 583 1951 1961 4029 926 1941 993 1432 1276 831 1616 1026 1471 3364 2276 1344 1548 1935 5759 1716 4482 4254 1024 6862 8368 1847 3774 1304 2060 951 608 14258 1033 1659 16610 1084 897 1027 1328 5516 1436 6956 1387 12910 832 2395 3816 7076 6434 6027 2816 909 7086 7665 1511 12613 7758 8287 2580 5197 1870 1070 14138 4428 2264 1417 2174 9614 2734 2379 1073 74162 2684 1433 2672 8711 6435 1184 19249 267 5339 3886 3012 1627 1163 1886 6572 1738 4490 2563 1868 1740 1703 1367 743 670 1556 6234 3804 894 2230 3169 1302 913 1090 1535 1431 7962 1802 2501 8632 522 1422 6953 1731 3765 9113 6730 2155 943 1577 974 7107 4013 398 1171 21534 1015 10352 1179 41402 3833 41169 2826 1118 3270 5857 809 10119 dodecanol 3435 2043 3293 1379 1318 3054 1745 1088 1333 3057 3589 673 3338 1464 2689 1942 2300 1821 799 1513 1794 2404 2218 1025 1685 1936 4315 1798 2158 2405 1800 1635 2982 3624 1704 1269 2698 2326 4762 2359 3081 4239 1394 1389 6380 3977 2010 3008 1212 3127 1894 857 2958 2532 1132 1544 2695 4522 1772 981 1233 1705 2273 2627 2354 3202 2931 3104 2039 2382 1760 1997 2267 1334 3457 1322 2778 911 3074 1480 3600 1323 1816 2652 3971 3407 4612 2984 3146 2442 4335 978 1245 3611 2336 2451 4108 2901 2454 3153 1907 2846 1670 1416 2196 1805 3874 6146 2613 3127 3193 2381 1737 2688 757 2199 1711 1389 2352 2799 2254 1460 2931 2642 1878 2940 2416 2871 2537 2439 2121 3192 2751 5871 2038 2426 1501 3020 1968 2445 1828 1333 2304 1816 1191 3161 6887 1824 3828 enolpyruvate 1965 1488 2418 2779 1848 2874 1679 1372 1399 2078 1554 1194 2926 519 1371 1516 1221 550 1322 1352 612 1004 1918 1362 1548 933 3425 1785 866 1478 3243 3266 1746 1976 1494 1937 2012 1554 1711 1028 1076 2937 1385 3790 1784 2927 1981 1187 3071 1995 1062 1780 1723 2170 432 1195 1339 1708 1262 1720 1954 1391 1473 1941 2291 3800 2459 1231 2885 1475 2290 2019 757 1417 1778 1227 1541 1654 1806 2960 1617 716 1427 1339 1753 1940 1727 997 1169 1134 1407 3434 1841 1554 1855 712 1250 1008 1664 2508 3037 1135 1863 3121 797 665 891 3183 3242 1642 1458 1672 960 1048 1014 1798 1527 2370 1271 795 1693 1207 2723 1743 2156 1638 1298 1324 931 2519 837 1865 1352 2119 1253 889 917 1553 1719 862 703 535 1370 511 674 1304 1797 538 3890 enterolactone 11368 70545 5374 11526 6840 315079 77787 22213 519 1020 63920 2745 1222 3623 1274 39831 2305 22840 54414 3401 43097 4324 27063 2244 8140 49660 3193 132688 243 79816 3606 11699 38844 25710 769 1254 36661 23922 23418 21062 6927 361 25869 2307 29395 13408 1245 50527 43600 9435 878 1818 1143 4000 1541 24499 4406 5598 3252 23121 15895 2358 6989 1363 81711 1546 16747 7068 1727 12713 34425 15722 2078 19418 3410 1089 975 223 3144 20422 19662 1159 46311 979 6205 14085 1146 12016 17221 2927 16280 661 248 3459 21957 1655 58883 21013 31797 4663 24383 4829 1833 15147 596 88 14430 2925 1850 76047 28435 1425 25433 4273 1482 57450 1281 14815 23069 23850 395 4090 12426 1317 83329 20539 42310 5901 2664 35080 141 2527 2915 219 287 5329 336 12818 71746 788 71 1456 14 4460 2147 140 918 27816 304 epicatechin 253 1986 330 418 416 145 35 204 364 470 341 369 613 106 167 219 78 351 104 318 411 399 275 103 510 116 610 306 285 295 1358 487 298 607 556 602 301 109 167 226 208 416 483 249 70 610 568 609 282 378 254 449 161 616 513 519 128 254 2235 655 298 694 391 699 224 166 158 684 709 339 340 673 318 380 105 243 580 1203 534 490 57 2092 545 369 418 796 726 127 134 221 452 445 199 77 58 176 982 104 275 298 1034 126 441 25086 45 1425 90 857 421 213 307 275 47 136 116 212 115 222 153 34 902 163 662 56 129 491 71 530 5813 54 287 146 8451 450 859 147 3320 151 88 1033 742 992 777 36 513 159 359 816 464 epsilon-caprolactam 4085 1233 1660 746 656 638 3696 384 991 2158 667 1399 5046 1112 1630 2116 2394 3648 1089 811 1808 1527 1120 2301 756 1537 3520 853 328 675 1380 743 700 2963 1185 729 655 1038 567 360 1602 715 471 725 442 426 404 466 473 372 633 372 1454 480 666 409 448 512 1124 230 609 631 285 414 1245 401 230 723 1086 190 1365 431 392 263 823 437 432 686 1078 365 538 386 269 2744 790 1238 1855 1102 774 5009 908 501 428 1452 441 1301 2301 1103 909 2726 1002 1436 589 431 1092 385 175 5216 885 2181 282 491 988 606 412 999 558 606 895 2899 1381 879 2495 990 676 859 1629 2814 730 1274 1700 593 676 2875 422 537 396 575 490 869 1424 356 522 676 499 1611 2823 471 1677 ferulic acid 666 360 889 558 909 530 292 290 263 1291 428 297 1282 157 238 846 585 320 479 524 353 330 614 697 254 424 990 702 241 229 857 1303 860 837 439 344 664 654 693 773 184 357 314 1512 192 667 1053 1084 969 1170 2062 948 987 230 375 280 313 369 879 418 920 566 980 770 300 587 683 223 375 367 648 286 607 399 504 328 545 454 535 592 886 327 245 316 457 1258 241 527 498 264 679 304 2094 972 755 146 1848 418 333 437 1270 367 624 908 544 855 731 828 1363 1745 584 317 253 233 476 754 315 3053 1283 339 544 233 699 939 360 2345 515 460 409 607 605 902 4286 166 406 445 643 2862 1249 917 886 734 284 150 380 697 252 387 2048 fructose 4023 1120 11496 9888 2753 5877 5900 4954 4409 1645 4647 1389 1730 7442 1970 638 3913 893 619 550 1072 1076 2971 1564 1249 1279 8390 1826 2395 3502 7972 8569 36726 32714 3626 4127 2902 3634 9239 2150 827 4900 1520 1641 9032 4496 2979 2861 2682 5685 6155 4164 1888 1346 3538 1757 4330 6163 6434 3493 1483 4654 4830 1639 1965 4201 17744 4519 1197 347 10693 2083 10827 1889 2146 2322 718 2078 1943 6383 5999 2438 984 6414 10034 832 3483 5587 2557 2016 16484 9261 3150 3431 13365 9649 2829 4808 4514 72871 2419 2521 6614 1540 636 6804 6252 4970 11485 5569 2081 5226 4449 1624 31430 5036 9183 9866 4005 3397 4021 6442 848 3933 2097 10181 1325 1828 1205 4202 3568 3014 3389 3625 7724 3396 12563 5719 2926 13681 1407 10620 897 3252 1252 11005 2418 825 10297 fructose-6-phosphate 64 518 91 219 1726 165 457 551 145 438 142 799 256 903 82 696 52 54 162 276 134 1275 705 462 189 2014 124 241 48 200 1109 771 2993 71 105 209 829 981 80 79 139 99 202 406 115 109 136 2117 133 183 4280 521 417 267 244 1307 223 157 454 163 466 96 1369 205 37 218 788 49 243 263 328 482 12 265 704 138 1662 152 439 269 794 175 115 1444 51 652 46 31 567 97 52 6814 142 47 4132 55 63 55 106 290 219 146 170 163 222 856 436 76 271 174 1045 91 1302 179 77 2250 2924 78 1550 65 633 62 55 5752 187 586 1160 200 70 373 1159 7669 453 145 6304 759 133 1806 312 510 132 112 395 231 1027 23 113 262 381 fucose 3134 737 14779 5704 3586 8383 4385 6314 8245 1680 1884 5366 4498 3879 924 1455 3708 1656 2725 510 1039 867 3483 1539 848 2101 1844 2209 15189 1552 9234 6462 4699 5601 4446 6114 4994 5722 11890 1216 659 18174 2512 1623 9602 3375 2956 3669 1070 5174 11001 4485 2058 1729 3820 9410 1878 5011 28194 8776 2340 1738 5181 2097 1772 2779 8899 11214 722 758 6270 1963 2890 1311 3001 1379 2053 8192 1162 1738 2340 8528 1164 5222 5360 3739 5527 8741 2822 2665 6217 12525 6279 6616 5476 11061 3875 4903 1182 20672 3652 2735 14494 5743 766 86532 17183 5743 10444 1238 55678 8389 3095 734 137209 5893 3325 21091 3120 4341 16407 1932 1376 9622 3527 7460 2179 4503 8952 9040 5718 11166 6162 6784 3624 12421 12711 19110 6184 3787 5793 15699 1951 14775 2276 6713 2625 3920 4848 fumaric acid 16996 12312 21494 19921 13455 8146 624 6386 4301 30565 5436 6220 27090 3771 25562 14293 7658 2939 6390 7767 6828 7467 19294 16809 8182 9093 10872 15688 13756 5923 9728 9762 12927 11599 7076 6967 14928 13860 9193 11065 14328 9930 3725 53006 21574 11268 12876 34427 16470 22423 12384 18589 28456 16030 9813 9201 7701 45154 10048 9960 21642 12157 11955 16088 15536 23748 10515 7924 11524 2524 8904 18906 4798 13266 21492 7175 22044 6630 15352 8402 26502 6683 9593 11686 8893 13047 10142 15534 10721 4784 14240 39777 16199 17172 10552 11901 9001 10728 11454 29126 13523 12482 14688 20634 7274 19145 12945 50078 14143 13310 24231 17798 8961 4534 9958 21244 23124 11708 10076 9548 15683 2754 8372 12044 8873 13606 17121 13016 9847 15293 6402 30140 14894 407198 12147 11988 10377 20852 13050 8599 7977 7730 14787 4484 18660 19600 21936 7668 130651 galactinol 656 75 13095 845 637 1343 334 19597 1481 342 354 420 17522 229 80 367 654 303 561 349 364 90 851 574 16345 200 18511 334 375 2128 16071 12919 702 440 1204 152 81 716 2424 99 4288 625 527 1779 613 1139 76 433 1228 208 3565 975 284 355 443 1368 882 6277 461 446 320 89 9915 823 480 1936 1281 382 235 561 128 539 343 394 384 335 508 281 1058 5346 92 417 683 1886 347 545 1546 259 884 1048 548 777 1226 360 216 613 451 673 1712 718 1048 1182 16358 280 2361 329 923 4598 1167 511 1013 163 259 781 689 675 1257 611 303 1672 4414 255 145 461 2200 426 228 331 577 210 329 3032 8800 1569 456 549 662 2415 709 1071 345 758 1248 224 757 13 124 galactose-6-phosphate 65 16 384 156 364 156 135 122 178 24 7 315 74 82 168 20 198 135 114 192 145 22 43 94 153 50 78 53 897 242 148 376 192 93 807 142 24 337 49 253 25 179 231 103 65 2505 219 143 311 228 158 56 54 117 168 72 51 21 498 189 86 57 141 48 124 76 639 118 47 185 27 62 128 131 101 116 114 40 197 315 186 136 57 74 49 59 106 43 629 75 407 168 50 288 62 247 78 49 29 321 112 240 180 20 150 104 74 138 59 287 1079 49 141 151 225 239 100 301 125 128 23 371 638 48 211 321 178 16 67 50 282 84 142 109 32 9 117 92 50 42 75 123 73 1065 85 538 85 313 galacturonic acid 2107 4224 38645 22263 6321 65666 12731 7649 4039 553 1614 7662 1530 5322 2682 729 1576 5606 1178 643 1121 3586 5372 1602 816 874 15019 1460 4262 5278 10745 17714 28004 8204 6952 7656 12680 72176 55992 3086 1826 35047 2746 1157 40444 2906 3567 3767 3506 17914 13175 3916 1898 2995 2726 2254 3500 14692 9038 5787 4039 2912 19110 1129 2426 5188 33156 2459 772 569 16496 464 2967 4281 1214 2732 1284 12706 709 2016 884 8990 1241 740 16524 4450 12431 71851 1075 10562 40628 21473 5929 17634 9946 18695 10981 19614 2251 4894 1200 22636 6769 1135 2165 359317 5548 3858 21386 1284 9883 122288 36692 1552 90514 4722 11958 76685 9878 19375 6890 5273 668 8554 3349 3948 32391 2146 3721 4088 15762 7846 7929 753 31632 37335 3620 21345 5992 4231 3986 19935 988 22200 1228 14265 2519 2601 5618 gamma-tocopherol 32446 46418 72694 51105 33458 27175 14660 30083 31770 51343 32127 74676 50382 31628 20546 69390 32161 81425 24549 19612 24957 31307 32852 74208 66811 28158 39919 45457 12071 24214 47162 62434 15724 51986 33510 35850 30426 29561 25841 66156 31463 11245 99399 12811 6330 36175 46526 15292 28964 53060 22337 36576 32357 128750 47678 44243 50181 28561 9653 17497 27008 48766 28719 43789 51995 26235 22965 48247 48075 21491 27768 31633 8654 35530 54992 17000 68446 1818 45398 28644 28143 5546 8828 6247 44892 38154 34056 12939 21767 21567 16500 22941 14107 13833 15696 14726 14507 9272 33340 32279 27862 25248 108516 26070 18774 3565 17712 25916 18337 32093 23460 3116 20928 7485 24033 26050 15636 14724 36961 40942 4583 15944 49571 18863 23675 80688 38518 37304 30774 41361 2606 26535 12976 10332 12707 4990 30286 22923 27544 20649 36854 11854 32694 4913 20650 14276 68182 18981 44205 gluconic acid 601 244 244 844 532 735 185 4534 2537 1405 570 260 1489 736 778 301 205 826 1156 277 1334 353 322 341 529 5979 1575 3006 530 537 833 510 909 610 545 312 927 13490 787 244 211 724 339 319 2250 389 721 451 647 684 2788 1121 350 527 246 2055 315 1939 2040 485 526 382 756 101 446 2013 599 262 1404 3922 1401 9245 398 353 855 258 1568 1334 747 989 1043 709 255 759 777 620 797 2328 958 335 292 2588 10161 2206 97997 1993 244 2875 365 1801 640 437 554 239 721 3531 6205 348 1310 328 1319 782 1335 1277 1056 815 932 2148 640 4833 792 795 488 3690 557 3104 988 1239 301 527 423 2538 1290 365 3191 1826 751 1977 978 3163 2980 6220 757 643 774 1283 1370 1373 1100 glucose 10153 2893 14448 13918 8138 32748 11123 6574 180935 11338 7426 6133 4334 124590 8725 2806 22184 3594 1595 1197 8015 4644 8483 4796 3456 3918 45020 5963 29390 8413 72992 17368 20772 12174 61972 12619 12089 9329 40734 3803 2676 77604 8771 4087 64855 19370 14214 49166 11599 141925 13700 7201 3343 3169 4746 8377 5540 20661 392815 53085 5872 7454 23140 1293 3405 65782 59008 58361 2743 15380 79641 3681 174746 56406 6189 3158 3373 13954 1473 22480 11395 38879 5578 25227 34041 14026 18735 47801 11003 5052 76986 64104 86729 35707 182622 92372 6612 42746 3000 117548 10704 11016 109718 5378 4867 33911 6357 11221 124292 14458 48169 275969 18423 4345 186604 13781 32150 37505 7751 82205 56958 49914 3592 72018 8020 367240 82209 290704 3222 7205 14552 20897 21133 16470 23674 5552 24648 21612 73468 81741 27215 54163 3315 52942 5063 22590 54153 7343 12845 glucose-6-phosphate 242 908 162 176 3526 177 192 239 112 169 55 275 72 187 56 1266 43 17 66 162 55 2017 250 162 100 3217 292 157 16 27 1220 346 4497 47 84 184 314 1874 80 35 52 72 155 72 96 125 276 3726 82 216 9115 240 272 151 114 3529 43 70 656 88 233 75 2260 101 23 135 1155 36 77 63 316 159 28 74 260 116 3189 158 446 203 172 64 39 4726 72 1228 133 80 97 17 44 10516 137 53 5724 29 12 16 67 85 142 17 175 160 185 1913 504 157 138 268 2014 61 2083 122 82 4819 5397 132 3311 35 900 20 93 1977 57 298 436 179 20 183 1978 13848 569 86 9681 1701 48 3155 105 380 96 72 60 222 789 5 101 82 1262 glutamic acid 771359 310048 884350 1687040 713585 336582 803801 1140238 117323 270867 483344 1264528 290384 526812 807558 189893 1083897 532364 463534 268180 613002 188072 999428 306834 145931 317398 357589 891346 133832 387769 734207 1272957 277159 823332 431203 654865 419797 280106 791259 795001 469873 661481 555053 554856 584683 1263898 1037800 622999 962912 630068 662620 762067 538945 910143 321489 784459 508944 1635032 469534 442926 1074801 913425 998893 415353 837308 669756 424123 443591 293955 38770 576806 434905 234208 286804 521226 350320 311485 609908 488789 872581 270925 510541 138469 905587 556483 1045431 708372 827243 509597 1134934 728438 867836 431447 1103319 683177 918743 706932 540788 286548 767243 438968 662471 799012 686181 239385 700626 49734 704171 736768 391257 101082 398095 572142 75294 283598 619415 665227 623110 1196034 547174 455852 179860 1426297 1000822 485414 1230556 1462507 135056 320075 324385 567696 959852 1526610 374889 304126 294503 278982 544955 927693 924408 176428 383277 132134 218907 275643 770555 325036 846713 1580226 glutamine 47123 28733 65871 52846 12542 23561 26097 122566 13965 21793 17739 37002 12610 27002 60735 11804 59641 44666 20268 34689 25438 5608 43110 14515 19706 14961 15791 25165 18271 10358 37544 24032 12595 28305 24409 35497 19332 10601 39303 26428 31093 62171 7388 11598 57386 50841 38980 9217 36542 15279 18909 30478 19834 19413 14193 18901 18471 61541 40236 37731 14338 30713 31423 13528 96957 34843 58607 53979 10028 3903 45824 4795 44302 11305 26095 27260 11455 10562 14035 27370 7171 25708 17765 22855 56786 31584 27572 60960 23828 39628 13757 16025 27174 41389 36133 39234 18686 31877 70884 26078 36813 39119 30903 33691 12414 59297 582 36025 48388 11239 2402 30468 21993 6027 17215 30586 42948 41484 16002 32221 15908 14499 67905 26386 13177 68484 55165 6532 13962 23235 9443 52188 34543 15578 24098 12259 5928 16372 31558 45662 2861 25864 4898 14050 30249 138634 7595 19143 32440 glutaric acid 7598 3571 29317 20492 30568 11449 26591 86104 9879 42649 67228 1469 4554 4614 12753 5827 37383 1823 3012 1547 8273 74287 77935 2357 58457 2613 11841 2939 6516 59150 13157 5004 5448 29809 6130 21445 8262 3877 65438 18316 60948 7867 20869 4375 17341 3292 19724 2551 2395 10413 12331 8135 2592 33795 3965 7072 33819 18722 10677 10944 2793 3628 12493 10578 54423 29515 16145 12479 3946 9142 12959 2793 13182 16827 25720 19170 5998 3300 3525 23036 30753 4973 23291 3693 9383 111875 69530 5942 53064 12665 33854 16141 6981 20898 22027 8239 15459 5104 2208 12402 90157 2739 26294 45365 24467 748 1841 12020 43527 45561 127647 2650 3403 28713 3274 29593 2746 50186 36018 23756 4591 5111 44326 17965 1602 52207 44249 18789 2441 5120 3289 43790 25394 8758 12967 5282 7685 16839 19925 12488 3506 2975 6900 3191 4675 11247 17749 8315 32614 glyceric acid 17844 10229 22245 123781 9093 22138 21377 17262 13421 8844 11766 4867 7943 20326 23149 5264 20263 3076 6578 6987 19096 6276 24068 10266 26781 36450 29742 21364 17036 32078 53355 20182 10313 148957 25786 42947 30423 21831 80179 22818 5726 81887 13820 7436 163382 55441 37924 5901 16776 63475 36209 27720 10638 6501 44664 9363 6129 289313 11619 12106 20023 55131 23525 6990 8644 33886 32336 69677 4650 5902 46489 5217 32633 20401 10742 8224 5469 52552 10974 37594 17681 9170 9778 10280 65218 22780 81055 36030 24983 54003 83356 58383 68073 166588 125984 175079 23767 65391 7486 53903 10798 28994 47640 14872 4287 13023 14830 52622 58465 10339 16466 18192 15167 3134 48659 19187 28271 116722 11758 22333 20971 13764 6427 33892 9890 8913 8212 15638 8551 23683 13572 27472 195461 57833 28077 12875 25429 177979 48859 35702 54319 30886 5248 23770 4502 165114 18565 6566 86478 glycerol 388405 251973 382073 768848 400426 2082802 512615 307554 262753 206348 349514 136389 306744 185199 145838 211912 190261 139749 176537 168943 96844 261489 379210 196640 147466 272495 520842 534975 170271 543498 410765 351295 504785 263713 150583 1111053 270600 260520 418422 195409 145352 284096 469053 121564 517646 226411 374162 238992 284560 248711 134354 121605 240578 97928 3752657 158789 125308 401729 130681 122522 198633 1917467 298599 120476 130639 190225 477508 141142 150519 164460 257817 113280 245131 377013 119356 750593 122802 188866 148339 150731 194759 106734 142360 89867 513878 503065 214120 370579 142441 155365 248396 213954 131928 197496 161534 143750 178623 193687 132348 143088 212363 190327 190202 41447 87452 247252 107973 310277 281774 199140 421050 230741 209102 130668 100799 245682 182281 1182850 161186 440129 237194 128408 242974 351219 188954 280102 382776 144245 124364 602447 412428 433935 468775 613589 804069 247358 195473 440547 233112 682246 238149 137401 371466 148666 412173 412647 367433 279918 322324 glycerol-alpha-phosphate 5957 8721 1774 4181 4458 1437 2566 10117 1299 5102 2837 2889 25699 702 1472 2548 3886 1251 22640 1816 1689 2959 6091 7355 3680 1624 1814 8553 650 2467 3942 3346 3166 2643 1016 2483 1983 4425 3200 2166 382 1654 2050 5849 1214 1806 1999 5228 8575 1017 4068 2662 6449 2967 18053 4269 8285 2222 2092 1139 6304 5531 3107 647 7070 1542 2593 1124 10033 744 2875 21807 525 1658 4561 5898 4363 630 4408 2023 5572 1387 1643 3771 1193 2907 641 1683 2248 1451 1996 2496 3013 4002 5178 694 1226 2481 5333 4105 3341 10638 1590 2994 10027 7329 5838 444 2528 4818 6735 2511 4628 3105 1744 5220 5673 2014 3209 1098 1873 2627 1818 4044 16775 3237 2667 651 5755 6297 1691 3419 2083 252 1546 1889 2399 1993 1522 1219 1614 1165 1660 1122 4004 1611 1665 2524 2000 glycolic acid 13479 8704 17661 37744 15372 21319 11492 20810 14586 11186 15996 12103 12335 9202 18740 10346 9043 5371 10438 10711 8843 6447 13569 9883 7123 10132 19449 13942 11509 14732 30037 26169 13723 19542 7893 24559 29995 15207 34890 9370 15769 28489 24468 12522 35104 16000 25561 7562 13782 31505 9828 10757 9307 18007 19631 7439 11264 32007 9666 11910 18879 23700 15842 8182 11671 26341 18279 10556 9261 6890 21693 5330 8464 15506 14004 12345 6875 15909 14212 17157 37609 10436 8269 7180 33910 11816 18652 19872 10337 12399 22409 30860 7128 23198 22512 19425 17884 12296 8167 21280 14024 11657 21602 20228 5099 10427 10309 37996 24989 9592 12740 15588 12461 8462 13509 11253 17133 30874 16968 12150 11205 7762 19612 17645 7913 24683 11286 12985 10360 24955 8474 28868 21834 32202 10102 10674 10616 23390 17275 8123 10283 10459 13691 7533 9041 23144 10843 6784 15847 glycyl-proline 4858 2061 16539 12556 1880 4452 1492 5676 1074 2055 600 4341 1342 1223 29184 1582 3113 1953 1109 2661 32154 886 8893 1550 4035 2405 1053 2452 24095 885 20504 1537 1168 1467 18011 7343 3111 891 3828 3556 2538 48050 2552 5890 4433 1796 6508 12144 1332 5650 3677 3229 4690 2117 595 4139 1697 10953 57184 2475 9737 1509 1824 1509 3185 24685 1050 1374 2548 1029 1407 1227 10401 3299 1687 5563 1981 53353 1145 19472 793 43355 11622 29101 11380 4659 12202 5977 1947 8134 580 18618 6013 17780 3950 12116 3825 4607 3069 3820 7731 3786 8088 3547 832 42409 1834 5970 4308 924 1328 18775 748 1800 1433 1806 13984 5400 11104 14641 8251 744 7295 1671 590 14452 1832 3208 4850 2122 676 13034 3199 3062 1642 2722 10780 13999 2063 2644 5653 28945 3644 6548 1798 8719 5472 1058 9232 guanidinosuccinate 322 323 538 251 545 404 222 472 300 828 181 496 690 200 370 292 366 115 387 357 220 211 436 651 252 176 426 452 195 159 610 492 555 222 260 418 380 193 235 459 214 568 236 1493 228 414 439 597 610 692 288 553 543 780 309 249 185 339 208 433 540 489 476 306 347 705 249 243 290 198 456 312 110 369 507 350 133 281 475 662 481 144 254 323 377 525 187 285 531 143 209 887 480 477 304 17666 210 363 253 561 557 178 495 1005 216 197 86 167 595 229 107 287 197 242 399 511 484 291 300 186 6671 113 439 346 238 611 270 29498 281 619 101 391 332 199 74 210 5596 264 408 1097 9045 2078 295 86 572 224 1819 244 72497 guanine 951 509 1985 1637 1066 1001 1286 1634 468 1600 479 1366 1338 577 2527 614 1148 999 858 719 1316 680 1357 1151 2270 762 1112 2674 921 1636 1804 2201 1140 759 2212 568 1752 1194 918 555 419 547 784 1377 1656 1113 1408 574 1053 1917 963 768 2271 910 576 1122 1165 647 1788 1053 1392 1014 712 768 1542 1894 1261 979 565 693 822 583 363 566 2649 660 745 1296 1384 1657 1995 796 780 902 592 1808 728 1805 863 717 2494 1400 761 1236 2136 1039 631 485 1027 1057 886 1338 584 1644 543 843 191 1577 2847 747 203 851 1046 626 1910 2585 2016 1548 1161 3926 731 694 1681 2005 1180 2417 842 609 744 1074 455 3792 1372 308 954 730 1494 864 1757 466 563 1063 354 2221 561 4397 4934 703 3256 heptadecanoic acid 231172 301486 89079 50520 102269 66552 92716 94231 150569 215306 68661 165389 724997 38418 125996 155287 160203 163088 226300 82213 115672 123701 243700 613736 297021 77438 153713 222809 68407 165236 100588 62417 53605 105729 210764 65724 174001 63900 76678 90571 212129 57408 203302 283217 75529 114299 64136 133614 116946 62780 112363 185773 399043 150151 121997 152986 108063 91345 64180 167698 315640 138649 91797 212032 100646 76222 58444 64241 1212225 283570 62685 379160 119726 105231 186571 117248 190807 57592 483460 67831 104983 39884 87132 164975 63719 186150 91833 39594 133778 122518 148631 50720 249001 68095 75350 51315 100886 125907 83748 111962 257013 270615 60132 127603 89451 31400 105118 85417 57001 176616 67267 35725 213908 88740 46853 87329 37778 34550 95239 90369 56800 61602 99761 94555 173484 64048 112973 117889 337762 181456 76548 85644 85181 93745 72056 73884 124720 119793 151702 64751 194349 42377 224547 37251 121764 66369 89554 267574 68217 hexadecylglycerol 1071 150 7136 1991 513 2731 487 1166 7778 3314 363 539 407 2747 1172 558 686 309 1446 377 4376 577 838 756 3654 49 2330 1114 28861 744 4553 838 787 2972 1454 3151 857 453 3900 857 368 47102 622 1043 7421 530 1286 7297 444 8078 573 2807 1711 1452 3015 793 615 1606 21827 6295 1555 677 1855 1594 524 43304 1343 11238 605 1552 669 2779 3880 3023 1757 961 2050 2543 581 2343 6672 6439 556 1440 3716 9925 3403 1545 4005 1299 820 7426 1360 1351 723 14902 476 652 395 9444 1050 461 4205 919 1787 8407 238 1956 11245 241 587 3750 1190 222 4872 901 5109 10416 567 2936 10574 249 4073 16341 345 1233 17881 1019 127 1090 1489 1361 1215 7922 1476 3531 40699 1691 1637 1652 2316 14987 3204 67345 724 3309 7878 358 20557 hexuronic acid 1702 350 4022 4058 2216 3293 2408 13105 2801 853 2885 1488 963 1071 25036 949 1236 1015 618 2306 2353 997 1471 986 1741 651 20762 1433 1726 1499 4199 2348 1967 3023 3850 2954 2101 2036 9252 3339 888 2874 4393 1011 6698 2941 4322 3182 1868 10059 3432 3848 1547 1509 895 1070 884 5903 23372 923 2478 1669 4543 1164 4532 8898 5810 2098 1360 499 6794 577 1077 971 1304 952 1062 1251 1203 3079 2902 1884 629 2253 6846 7359 16824 4450 2884 2637 4346 11914 4499 12068 9070 3985 7894 4067 3415 7151 2148 2624 6343 1940 1040 130216 79340 6743 5315 2576 2335 5942 2780 3099 7929 4170 17424 4852 3883 4748 3634 729 2235 3363 2235 6620 2549 1679 2603 3064 1522 8267 3580 2178 2083 4100 1572 7082 2244 1634 2785 6054 1690 3444 1563 5600 16827 3354 4551 homocystine 745 149 1473 1572 556 1374 308 522 792 1223 580 606 306 744 1024 861 319 332 492 280 770 301 360 419 523 402 824 472 475 893 1271 891 613 664 1085 2049 664 303 1111 544 264 857 773 825 462 1327 2278 550 474 906 639 1937 892 1368 884 838 119 1335 2201 597 1067 518 386 984 245 2643 338 536 380 1044 381 450 1919 3070 2665 806 2072 995 515 1096 1095 2421 373 1397 860 1103 672 834 235 639 196 1101 3798 906 697 1129 437 1075 383 4600 985 395 1581 490 473 2757 346 1789 2292 237 605 4538 535 175 817 631 1662 799 564 684 1722 58 1371 1593 140 2607 2255 1039 240 591 131 1292 963 276 744 304 1139 874 1222 1945 2044 1526 2522 1615 820 889 1944 423 1508 homoserine 910 679 1774 920 1159 2113 1128 2808 2327 1214 1795 791 1298 5273 3318 947 1617 660 261 194 2236 989 958 1001 259 1023 3973 1131 798 209 4725 2278 1028 1976 1123 882 906 1353 1823 686 1069 1357 630 1125 1390 1492 856 413 1459 1020 1770 904 783 370 527 1119 790 363 4343 425 986 805 943 760 1799 1217 1809 819 1370 406 2178 646 668 603 1285 2352 714 1286 622 1213 2335 1432 3553 798 748 948 1009 2811 2698 1361 1332 6668 901 1080 1539 10157 1183 941 1199 8169 1537 1580 2043 2307 702 4098 1015 1016 3028 814 1325 7079 995 477 1022 2678 6632 10077 1959 1468 3628 2195 2281 5058 1594 3166 1299 1016 859 740 1175 9584 4798 510 2971 3914 2240 7647 3644 4963 1079 1135 524 983 713 1600 1760 722 1561 hydroxycarbamate 6688 5773 10866 2354 1469 3948 2287 1007 1424 4501 5709 1128 11421 2398 9936 3292 3300 4663 1384 735 2354 3459 2725 1815 2979 2231 6255 3350 2622 5739 2095 1672 5555 10149 3012 1589 3955 5759 8138 684 4509 6909 2221 1679 28044 3863 1860 2395 1667 5581 2744 803 1684 7423 2376 577 4338 11770 5370 1617 1529 1755 2903 6044 5743 4866 4121 5100 96 2830 1768 106 5216 1837 4237 707 136 1666 3781 2405 5063 1816 2460 2667 9838 11880 8609 3669 2243 4030 6716 2140 1608 11722 3037 4274 8349 2858 4931 10761 2545 5512 1905 1610 3816 5242 2727 13779 5174 12649 1321 3513 2260 2872 1021 3850 1683 1903 6142 5782 5059 2094 8663 4887 3467 4869 3074 8655 5000 5436 4231 5298 2599 10400 2420 2670 1473 3259 3291 5043 97 870 1643 4083 181 8132 15912 117 9113 hydroxylamine 58598 128604 112883 42806 49871 160419 41440 35894 79475 64862 224214 25200 86553 90910 126955 50580 50300 36633 34386 18796 56428 108926 63150 34057 111136 57533 162076 106888 120592 188094 62427 39398 177218 168570 91110 77105 154366 120998 214923 25860 66894 232637 87025 46236 499057 116657 77105 76260 57739 218354 94150 50623 48207 152283 104511 79017 121405 190512 51249 50761 36341 51485 127640 152791 64066 164674 180730 155809 40398 177968 55546 46427 67309 57502 129873 51924 25750 62794 128219 85716 172595 42762 84112 72685 204456 122228 117138 127452 67997 62840 113263 97910 63104 177462 128712 43699 171943 101919 85476 139162 74250 147987 79164 31794 118672 107584 321806 108801 143379 151467 251172 93616 89415 187216 41969 141830 85157 63837 94392 109777 45774 83108 122367 128480 104478 72443 71371 193635 110084 143063 94619 129280 58660 324184 125147 78645 53156 138312 80115 119781 87563 43963 115021 85198 69634 131384 285313 31199 142351 indole-3-acetate 3228 1795 8489 64791 3395 9989 4864 5485 2137 1363 10014 2366 1626 1735 18068 1463 2380 2364 3831 3395 8137 622 4213 2141 859 5916 12348 3081 2843 1418 10048 21470 16821 6444 13772 13733 4247 14524 14576 3772 4503 5894 9871 2239 14802 27826 3276 2723 5619 21417 18271 9391 2208 20085 3424 10141 1660 21853 4238 5882 3562 4584 4633 5381 13162 32686 1371 5678 4764 1880 3825 3118 3350 2956 2477 8886 1506 3138 7520 4846 7744 3752 2345 2091 8607 48058 56477 2387 10165 6640 5161 18679 4698 29767 82216 35340 14079 4376 5083 11166 8125 12464 17467 6493 12398 1729 5862 54569 7631 5727 6837 1676 6349 2198 629 8850 1429 5350 10527 9359 7948 2782 9170 14923 2370 5379 7791 13280 2365 6408 1305 11829 5816 24496 2511 2610 11152 14225 7890 1580 21245 2070 86775 778 1486 3777 14409 2369 8232 indole-3-propionic acid 4519 2336 6912 14808 2217 14181 1074 3351 7320 3318 11680 1544 2334 11728 7904 1177 2000 1317 665 2449 3573 1836 2981 2274 3141 2210 22715 7040 8613 3903 27917 36216 9279 4476 2494 6964 9385 4975 23717 1202 5479 5423 3644 2641 22820 8129 11037 1085 5306 13644 3721 2815 2387 7268 1400 2760 5057 11034 9267 4419 911 3886 7713 988 6202 2888 20431 2672 1430 865 12993 941 3097 2511 6052 5094 2931 126 5229 28225 5191 255 9363 1439 10530 20891 14447 15157 5790 4633 38737 12991 2957 12511 37871 4931 7603 2771 3226 3965 5277 1767 12566 1907 597 5620 3972 4891 10912 2530 27570 8676 3963 1777 12302 3391 5169 6176 6139 2873 13055 7777 8299 2347 8812 13093 2541 6217 1628 3486 4796 14334 3198 6562 8482 4194 6358 3105 3110 6269 1119 3841 542 2415 2209 11041 22792 1719 7900 inositol-4-monophosphate 772 5563 1697 903 6480 1320 4431 9895 1096 4230 2413 3810 4201 2614 2553 4364 1186 395 2045 4651 1615 3950 12222 6371 6574 2359 826 6335 769 9491 7130 544 1386 2030 1313 1511 10744 2393 608 2248 1937 506 2053 3950 1082 1818 1836 5938 2361 898 4258 3924 7140 4212 1690 5957 3063 1628 1034 2205 10400 1612 2193 1177 1014 2281 1994 528 1234 1107 1217 9034 3649 8475 5787 1962 5429 512 8364 1617 3392 597 3188 3202 229 1151 466 714 2425 1695 1169 7654 11108 2561 1725 756 1552 5901 1164 1393 1015 8259 430 1105 5869 1271 3021 573 1882 3009 8096 779 6926 2907 689 10772 5728 1856 4362 2891 1120 145 631 3595 5512 1432 3319 1407 2191 1104 782 6485 3333 136 794 1387 4238 1987 2097 297 5843 1322 5913 822 4637 801 691 7053 2644 isoheptadecanoic acid 173300 115999 58017 26836 45074 27888 21075 42718 35795 140941 48173 81441 411046 5910 71618 128616 89744 128654 148375 85600 82504 50751 97298 426307 202647 86131 53165 172066 14304 53846 47506 25397 13928 71862 54242 28718 63853 13524 30000 37311 115227 11196 89172 180920 13388 90388 66931 47911 121907 17212 91562 54126 323419 120791 34193 177981 80636 35313 17542 77918 215059 35914 50372 194373 86591 18342 12811 41216 891875 84921 23398 324980 78983 58913 60619 57806 137509 16865 233569 31156 52403 8804 73582 94572 12580 54074 33755 5375 36797 50979 36086 13441 85993 23531 14196 11442 45265 27925 70582 25959 250687 103157 28462 83570 36100 3994 53535 18983 17827 75717 22186 39454 50123 19872 12666 42279 10221 9554 36141 50339 11852 28494 75504 38407 75967 31430 63415 94068 161428 103631 9243 64451 75941 21156 9537 6473 6356 39805 94559 5821 59424 8728 115169 8156 84797 18032 46629 126014 30418 isoleucine 107256 57187 337784 145384 36807 120661 209384 304824 168605 25380 23265 278879 19680 425172 457612 21614 164893 272775 182452 260394 74138 18019 100649 39255 71768 116695 18205 103958 120698 20729 39062 33516 21537 140762 86117 153657 46621 22967 134370 116377 23680 122881 79791 29704 267392 71125 118749 14660 23864 143922 208933 54231 50278 40788 37472 176100 70963 212109 65729 170747 230369 60448 28069 40540 332869 138532 61771 303753 43906 13388 52179 53719 367010 44799 26552 226520 41543 111156 152836 40980 9770 265468 388923 51201 348689 49714 149033 284029 110607 198486 19509 143337 50080 145629 120716 297701 82927 87888 521226 95324 72118 167214 152027 271087 60884 354459 35965 231858 77861 18232 9686 80517 29717 19404 52287 56166 84991 182576 86675 203600 117164 64479 182051 176621 29134 220987 148956 231779 112709 84380 17067 126038 231730 168436 51349 14402 278213 157424 163010 76602 142961 497875 19986 370252 30347 428982 61076 35703 158153 isolinoleic acid 1815 2248 4507 6692 3901 7808 2334 1952 824 4885 2385 2797 8587 966 2030 4563 3753 2007 3482 1131 1201 1776 10005 4054 1193 1695 26098 6223 4918 2745 1509 2226 11207 1259 1779 50937 1271 2029 2978 2832 752 6932 2690 9636 1034 5290 1382 4336 3609 1559 2360 4992 6024 915 2273 4003 23119 14530 3081 4546 3346 2776 2649 2700 4468 3244 671 4500 521 2144 4873 1703 1040 1056 1916 10727 1883 8384 2634 1553 13361 3051 1213 141 31297 3036 76093 3612 4583 2503 2885 16487 3016 2787 774 1851 19205 3432 2655 4229 3096 1779 1197 3678 4740 99154 821 36421 12191 7623 3859 2504 963 1290 503 6448 1571 8398 4983 1948 1033 2371 7763 7359 2867 7767 2590 1236 1911 2776 904 2681 3497 98188 1711 1527 3000 1986 5048 4409 4058 2547 6975 863 3279 3589 436 3017 4080 isopentadecanoic acid 539144 251171 345143 85746 171028 126737 85407 145052 68628 287284 176911 136771 747822 76725 215028 126561 419227 167765 384474 183577 348868 112005 312635 188103 458657 163260 101800 176051 65109 123864 205699 60413 37762 409534 142778 86271 131509 36432 80702 51446 443160 66443 183178 282419 52753 312859 208645 252446 260525 42420 116699 158166 285156 304901 82018 191567 112997 127457 91799 176651 295290 66727 195673 417386 103806 124164 82581 231688 1424379 224009 66382 700455 203122 156917 125779 171350 356588 41496 286832 121181 121466 75808 247207 193989 47491 57504 82376 38025 92547 155943 68785 86323 168808 61181 109368 52662 196443 70455 368450 79147 828204 107239 65117 95270 61126 50955 116679 72940 110240 211264 68635 48894 67455 26114 19892 106942 82344 62406 80076 109892 57772 80700 272529 117807 124337 140856 215245 269195 282919 142540 31609 254454 200483 42883 52188 64965 412715 68235 210861 41900 279901 111910 262040 21762 181685 67243 107818 343187 118858 isopropylbenzene 3562 1349 3763 3501 3548 4013 1229 5326 3062 3696 3147 2953 5924 5903 5634 4319 2904 1728 2558 3887 4802 2504 3573 5436 2678 2415 4348 2831 6295 2277 4373 3635 3718 3326 3982 3161 2635 3879 20747 10443 6174 20219 28783 9494 8203 13530 15016 12478 10413 12035 7595 11344 23995 6870 8431 11996 18986 6260 4253 18069 25338 17792 13320 9580 11872 13582 19895 13078 21250 11705 14194 6729 8364 22861 10030 2391 9591 2311 2902 13751 2630 3159 19136 1654 3796 4668 3515 4747 3181 1633 2537 2411 2044 4188 1989 2009 2959 2190 5098 1708 2760 3376 2522 2102 2263 1785 2143 3235 3103 2216 2474 3706 1720 2562 1511 3146 4756 3461 2023 1955 1625 3956 3013 2799 2029 4260 2018 2517 2417 3482 1402 3336 3025 4629 2171 1835 2883 5255 3634 2018 1879 5478 4205 2194 2651 2013 3253 3817 3443 isothreonic acid 1038 1275 3474 10229 1950 7484 18885 4505 2188 1013 5502 1286 1117 1306 2468 684 1358 560 1229 880 896 709 3083 1050 2465 869 3782 10343 2282 4843 7657 13330 2781 8716 2253 5665 3435 4860 7280 849 980 3912 2512 2108 4421 8830 6366 1161 4461 3860 1175 764 1153 1140 4449 657 3590 4371 1255 1116 1697 9434 4635 1723 5234 3670 5985 1533 854 585 5365 966 3623 5088 995 1929 471 2663 1200 4188 1996 864 565 2562 2381 867 1555 1689 682 9866 5125 4337 664 7742 6224 1623 3221 464 2024 2209 1554 11155 4511 1768 1301 13320 17800 1415 4989 3845 1058 5094 1431 2504 2888 1674 2968 8204 3137 1193 1507 3522 1324 2450 4180 1749 2156 552 1150 3953 3364 3605 1259 2768 1434 2018 758 1993 1091 2473 399 1795 928 672 958 2767 5288 571 3339 ketohexose 96 192 614 1353 402 515 181 274 497 470 346 272 348 389 227 173 242 106 214 170 166 100 333 200 360 73 455 271 186 274 848 625 309 602 458 1398 529 237 866 293 113 521 245 445 1260 339 599 278 381 974 451 464 267 92 760 347 146 628 670 465 608 683 213 638 311 685 528 327 227 106 724 298 727 551 314 819 196 568 275 506 275 220 162 1452 1246 237 245 269 216 474 470 946 323 399 513 394 211 194 133 811 533 178 573 399 78 578 182 272 425 358 168 1765 203 147 470 345 973 585 218 350 462 193 51 373 155 906 340 474 183 667 256 383 364 296 125 256 246 639 238 437 344 751 858 139 252 258 356 140 790 lactic acid 22548 16345 25409 36571 20829 44411 14407 10125 16889 11919 39344 11158 18312 13480 13586 9757 13949 4702 13114 12292 4988 9171 13287 13775 15926 20849 39548 19016 71937 16951 46579 39867 53798 34089 46334 26371 19606 30507 49130 5695 25243 42407 51921 13318 27433 27462 17008 7403 17052 31651 11350 6593 8683 7849 18990 6905 12483 25578 27547 12365 17955 35564 16718 10196 14838 23008 26074 23719 12341 10607 43893 6985 14550 39020 12673 13526 7742 175510 16457 21879 16399 35220 8259 8830 80545 27366 34914 32518 10912 20950 24504 28729 9121 13525 200019 21341 20741 12024 12630 17718 31838 20060 19185 19701 9858 171014 10690 31165 41205 19358 12102 39653 12710 21867 17689 21517 14822 31426 6480 30478 28850 30805 54618 38463 13141 9971 51611 15585 9002 92535 40166 38717 31347 107986 35323 22614 11366 91538 21322 11358 15667 18346 32277 12621 7750 54987 93156 17682 59010 lactose 864 458 721 721 1487 557 1329 1106 1512 1292 1893 1318 385 470 1828 246 1928 1977 408 1038 489 1342 848 472 1501 2253 8636 966 93 1677 10317 3684 21211 9390 193 574 843 5042 2576 618 845 18426 831 1032 57181 1308 2733 355 2346 19664 1542 1762 598 802 1663 810 2041 742 12053 15543 706 1665 1829 734 617 739 10099 26031 1529 869 5069 2535 15552 3279 1801 952 1177 1606 331 1999 150502 841 902 1593 4462 1923 30590 11693 1076 1121 59479 3180 2504 4836 34049 3972 356 6472 2437 578 1647 884 25426 1275 497 1845 234 3476 9307 518 1016 2622 1391 638 2449 2818 11409 3487 1756 793 916 3039 1440 9272 650 7382 1543 54412 552 197 589 7466 2478 7599 6421 1627 716 2578 2331 9223 966 2617 608 794 439 402 17662 227 5578 lanosterol 891 832 1030 1328 691 708 683 1232 1435 216 1583 2598 1653 338 1233 271 1360 2451 882 379 1332 1346 1102 796 915 364 839 495 289 286 784 2451 348 1949 503 1389 516 1241 639 483 1954 479 3578 1135 260 697 2445 1630 969 2314 199 360 1223 1134 855 289 1709 610 402 929 1646 764 840 1043 1674 1012 842 1795 1248 528 1163 833 1934 1284 1083 69 523 213 944 3331 676 162 2846 378 676 1105 1423 477 491 765 104 835 1554 1273 623 729 1634 376 1120 1352 1816 1806 3317 1253 328 110 648 570 777 1292 413 424 1201 214 1142 658 942 534 1217 407 820 742 1607 450 1711 1733 358 1424 356 896 304 631 776 584 533 428 1684 1068 1284 1280 253 681 323 234 83 834 936 139 1222 lauric acid 108065 56653 53552 56493 688594 61572 689235 77271 75069 53456 1534443 124951 628866 37809 44954 45518 153402 117578 256304 40980 35022 47243 1347250 122421 770094 53944 136769 93690 54750 112375 69258 53392 56688 155640 44415 78123 69202 55386 145411 3665196 104954 104198 290976 71251 114098 62206 83137 50036 55122 66877 328043 25476 116827 57920 78284 36791 1617738 89995 32395 81627 70588 163514 1753412 116114 96758 168785 69017 64313 117967 79044 82877 148590 138332 46431 79560 60749 63298 31959 71925 52354 49749 19807 63141 67442 137385 67153 101130 37325 83427 151289 135219 39009 58868 129318 38380 48588 287729 44268 101197 117026 231596 57834 62920 281166 288385 31563 72337 497864 57176 210986 41938 55132 81426 49798 201898 50572 48634 38538 58693 73884 34409 4582609 53349 66163 47838 57868 66045 32450 90179 143954 192089 86549 57695 146712 51202 110647 38832 139837 72618 37092 46582 42084 59806 36520 46347 58928 115549 116804 103699 leucine 172669 85931 608890 311425 55755 170774 357433 474986 321822 37786 38384 353908 31627 751959 617082 39153 314579 447916 241801 356246 117051 29142 168134 58382 141622 167624 42975 158177 194341 40148 68159 43169 30785 197351 188589 300389 85370 41445 200658 171664 33887 215433 110538 42806 421912 96099 206501 34662 40993 203160 324113 60340 80707 55349 45661 285318 113613 293835 141013 263598 323585 76070 54057 64918 530845 228688 60814 587553 56040 23707 82070 97809 541141 86195 54590 331347 73934 187499 181655 60792 16576 438472 576950 75200 627576 116914 236589 463012 161435 343123 33841 233454 84413 314557 113128 541534 126006 171597 706388 187570 145556 272785 244595 374837 43565 655321 60917 407174 168913 39500 36554 91360 41439 43473 87201 88557 91869 312808 124671 409715 415900 97487 294910 265222 61422 376975 270613 331492 238186 138993 33603 183882 364968 341997 77622 24064 309256 216718 257194 110372 217012 682791 31177 1182459 49980 832000 142073 48050 300350 levoglucosan 2534 127 311 473 1251 1359 281 538 272 290 2107 234 1823 338 20305 158 221 129 241 238 1212 189 437 138 187 164 684 499 270 67 966 1993 10243 161 327 730 584 206 1498 510 714 909 237 292 476 759 1187 97 287 600 268 243 357 1346 1063 213 542 303 587 315 356 242 593 910 332 33322 624 3692 1848 484 611 181 243 273 285 567 163 6952 483 3660 1973 242 225 493 1229 1874 645 887 482 311 2356 673 140 389 807 697 2297 250 3316 1502 1813 503 384 463 181 14216 1630 2353 703 180 1405 667 209 410 4956 425 513 837 250 209 596 801 2002 408 285 396 298 976 332 442 639 259 194 868 555 281 311 421 293 316 192 358 163 372 252 804 10527 297 541 linoleic acid 17263 10402 140344 200422 341775 241395 73028 63824 64060 9805 68815 28869 22996 18486 4230 12985 61463 8926 21725 3654 22978 55540 96621 21792 34147 36725 88197 48193 110459 584817 124410 106013 324515 60248 627158 785477 36029 20689 53714 46116 5076 17896 36527 7912 10677 96755 221584 10539 70733 44695 83006 111817 11883 24409 43760 40090 33726 38543 104973 403859 25242 24624 130964 179271 20865 80044 339209 167901 11071 110988 196817 15418 330914 63835 26260 414919 6422 1575 4053 71842 62311 55788 28500 81087 66677 92791 22330 52469 117294 93358 28798 9627 6034 17608 13444 6732 92044 73167 60460 13729 32532 26209 26841 5757 51733 11534 4994 17558 419800 110484 490559 3518 21885 12814 32974 153544 7188 311507 42774 30417 40951 120480 14935 148114 42134 27046 29331 48434 14228 12219 130562 13634 213625 5127 21930 35164 134556 26884 46411 139880 92076 41125 377009 9444 175658 3905 7104 101312 5538 linolenic acid 32383 44067 55834 83192 352801 1522806 223727 120268 7154 10138 77266 97793 56708 77895 4146 39930 100096 9459 100363 23336 58222 137568 175027 36213 12367 93810 113240 292288 13228 470949 36696 120853 277912 55966 495717 339605 38697 33734 146269 79450 7978 11141 195464 17244 15790 150623 249733 24120 116565 41533 73009 166699 23100 42651 177712 167703 6438 37348 91080 149505 27654 39705 494161 108068 22582 98242 205177 149222 49967 29432 504836 30117 332905 76853 22885 36605 36464 3598 31131 33318 251889 177252 151861 88992 70175 12986 53866 578393 80935 78443 7407 10399 5759 83385 12131 8229 223418 386875 103260 16519 78783 64164 11037 18683 81420 12678 12914 24411 236805 155120 502174 5264 77242 67628 53095 231049 8994 97614 30809 134969 12907 68181 21579 137684 72643 29984 39373 52399 42921 10553 34349 16260 132466 10198 124461 100577 102162 122927 186352 171883 236002 6515 332197 1724 174850 11270 3342 245456 8484 lysine 24814 6292 67327 90843 38334 30826 19124 34069 31434 24630 21838 39455 7543 80068 65677 12385 61173 23622 17444 16573 26287 13082 27176 13017 11222 14917 40280 12023 57743 11812 53135 49241 24496 45568 29538 43821 20180 7772 61278 22146 16737 74532 17199 23547 25156 62312 45666 25624 16724 49040 28900 58866 19255 34301 13630 28908 9926 85064 54417 57831 34704 29415 33563 29919 39778 84877 40237 80354 5226 9679 33425 7557 36257 14656 34648 41331 11666 18576 18375 50537 26285 28330 14241 65627 98536 38299 97046 64681 47236 67470 6916 26624 36365 48690 46305 92238 56104 27661 47074 89139 23400 15261 80750 41133 13559 37698 2579 71955 75654 9260 438 31088 10273 10118 20485 31771 34652 86897 23087 57933 39179 31403 112971 68002 9830 96480 72971 22393 9193 13198 13682 74880 118113 75734 14335 23036 66135 65940 63150 47953 13724 264488 11572 156446 16135 122891 45957 14338 92621 maleic acid 717 293 688 474 457 302 126 103 244 966 142 496 1134 422 712 1491 451 268 432 487 362 170 250 256 313 370 302 260 409 84 702 293 579 574 220 278 388 548 250 264 384 409 381 341 652 349 436 789 284 570 352 337 467 610 140 219 185 1359 491 108 400 301 211 343 750 778 237 205 251 86 202 446 105 326 660 145 445 141 333 192 764 260 190 524 589 654 451 352 399 153 261 745 307 439 189 376 200 369 338 921 257 335 303 343 256 448 615 1763 842 293 1602 515 204 294 103 591 295 431 283 311 668 47 434 220 93 669 686 587 425 814 318 778 431 29991 138 355 343 359 110 432 402 247 409 184 40 780 668 129 4249 maleimide 21308 18704 29766 24198 13655 8294 7009 4766 13861 39916 6439 9714 44230 12813 31414 19366 21751 10732 10887 13456 8174 11225 20264 34571 21656 12683 13370 14962 10621 10711 17630 12049 15385 9270 10749 6228 18146 12772 10701 15959 10586 12779 5300 31101 11347 8058 15683 20231 13164 22202 13118 17421 30297 19468 17350 8325 8508 20298 20191 9647 13964 21779 9070 18544 15132 21184 7856 10001 13162 9987 13487 27406 7164 15903 32235 5010 21431 4605 16848 7538 17578 7750 11863 14979 11819 23686 13110 13255 15222 9629 5846 39627 18413 32014 12320 29579 4957 20560 15352 47177 11300 17919 9830 22331 13279 18708 11716 13795 13910 13497 15024 29064 6986 10707 5961 27192 13568 6134 11692 19140 11962 4285 24102 18412 7455 44958 19201 19023 16591 17926 8846 24602 21555 6864 3458 21106 15224 23202 16204 15002 9123 5254 14724 6426 17649 23441 11614 12001 118881 malic acid 1712 856 3658 4208 6641 3837 2313 6665 1761 2137 2949 1567 1200 4057 2056 1398 1626 646 406 6517 4593 1232 2914 1905 1054 1529 2895 9138 4580 1785 3490 4218 5041 5221 5925 1798 3370 1587 3816 922 1409 2629 5749 1137 4234 3487 3474 6957 2996 5991 5594 3125 2523 2331 1506 2711 1726 4604 8344 904 6847 2605 8223 2077 3581 6633 9571 1047 1097 603 5030 1665 833 3914 2984 979 7854 5851 2395 3984 2831 6242 865 3830 1528 2654 1794 2639 1253 2089 3594 9388 2301 3849 7259 11409 3071 1815 2443 9598 1854 5207 5303 2582 985 29476 4572 22888 19966 1142 2369 12887 6577 958 8747 3627 43685 30664 3577 4492 15737 1165 2502 3954 2117 11508 7630 4909 1097 5712 3505 12205 7532 441625 26146 8170 1087 12261 3655 4189 407 952 2254 4823 1987 25007 3682 1972 34349 malonic acid 208 146 248 119 201 180 47 180 140 190 138 132 204 106 233 86 77 77 110 150 82 264 264 186 154 118 96 245 1458 98 450 541 259 144 248 171 110 221 137 191 120 97 87 148 447 189 292 180 235 214 129 183 261 135 136 101 178 289 125 143 204 183 153 179 123 274 174 67 148 58 191 143 92 236 269 131 157 185 61 314 220 120 109 117 104 172 152 126 114 91 121 306 168 329 126 117 70 139 193 483 235 271 343 151 115 807 594 348 226 211 341 1994 112 199 471 174 607 64 203 173 1335 38 78 112 172 170 204 298 280 231 273 380 132 160 2533 293 1424 190 70 5030 89 1023 142 99 99 342 585 101 488 maltose 7867 1212 4311 6561 2346 8846 1436 15035 49051 7262 10224 1667 14207 18918 11687 1142 7779 877 8027 20450 3460 3519 4362 4696 9988 2240 19717 3860 4369 2892 6624 56485 6566 182377 31832 13634 5785 36092 71738 1892 1486 187837 11553 3544 1006863 8251 8927 29293 2605 1235481 2444 9983 7559 1345 9190 1976 4303 31787 500131 152044 7478 1867 1508 2202 2038 27860 22612 957307 15432 3336 91700 8373 499296 14894 19247 7521 5167 23958 3707 10299 18154 39630 5155 66903 320140 9618 547471 173432 3317 8920 1219489 32545 26413 176052 323223 49600 9289 201831 5820 43946 14286 33058 189121 1389 27047 30704 18073 59372 212622 7936 2076 76388 17098 3762 74114 1952 233434 79343 1844 42291 12574 11795 4206 83955 1846 133319 182007 859168 2064 1652 5756 4500 12421 255652 10203 72576 6262 18196 20691 137669 2632 20783 1904 30867 934 8645 113056 1925 8977 maltotriose 58 72 200 375 68 244 28 258 1872 177 421 81 225 933 214 39 170 45 153 142 103 51 86 180 379 125 715 149 206 105 148 1097 374 129 839 143 277 997 506 27 91 3340 477 162 38737 236 352 550 216 27207 49 192 100 25 155 130 111 764 11212 1796 215 116 142 11 67 383 1032 19755 65 190 982 95 3077 349 130 202 39 913 225 482 729 15 123 1180 6091 548 26860 2589 146 306 25996 986 526 7021 7935 762 451 2625 187 1276 549 588 2933 101 216 2030 473 2489 3720 211 141 1850 132 181 2828 241 9946 2006 66 698 231 355 190 1533 102 2259 1854 22323 60 113 139 183 280 11591 274 2029 173 402 610 2944 99 287 162 971 140 261 5250 84 337 mannonic acid 838 42 244 235 698 637 20 5564 2537 1745 445 226 1710 578 778 404 205 826 247 213 1334 353 427 88 649 6799 166 97 69 310 1150 717 517 261 99 444 715 979 312 28 49 298 434 1556 2250 389 721 37 647 684 357 1121 398 611 246 2844 315 1939 703 153 668 103 403 181 540 709 298 262 1404 3922 424 10664 70 142 855 258 1799 160 747 1254 143 319 255 130 777 703 81 227 261 153 58 2588 12176 359 188 574 244 3313 365 2140 929 143 781 529 970 1554 1118 98 623 373 1492 2059 575 1613 277 176 308 2839 329 4833 236 795 488 205 627 3104 72 264 415 294 1657 102 247 365 371 686 308 425 435 459 404 257 1705 356 1042 1283 1590 1559 86 methylmaleic acid 732 559 890 1608 390 537 119 466 274 501 310 392 2695 194 287 451 417 207 1187 263 172 420 1279 676 354 290 478 365 191 373 344 567 716 508 234 352 398 1015 814 378 252 800 453 543 1007 1525 756 376 883 510 222 799 587 264 388 251 210 1435 160 320 837 265 247 456 1018 365 324 240 296 230 573 269 313 336 611 410 370 187 642 344 390 96 233 193 797 305 1079 369 233 251 366 600 290 416 296 324 298 146 726 380 413 380 305 1267 226 136 474 1007 921 529 435 610 272 433 170 439 228 730 411 202 1210 150 399 849 249 281 474 1659 285 1153 289 523 780 664 178 323 127 418 1084 189 179 124 240 132 220 598 512 330 654 mucic acid 286 273 714 387 303 1094 150 454 151 370 784 272 338 114 71 235 96 131 695 228 126 255 170 327 130 280 686 284 230 421 1525 553 250 497 183 169 2122 6074 1626 62 153 367 317 186 1354 373 292 58 412 467 437 167 185 132 204 239 216 308 177 534 314 298 306 153 201 377 161 149 140 146 257 106 259 316 271 140 157 142 117 289 333 101 176 45 104 385 201 401 332 126 176 1197 991 331 29 343 69 192 216 242 477 136 413 275 536 831 61 172 4075 219 435 1237 1859 921 258 602 508 1815 454 449 402 1169 172 1139 357 230 689 272 2043 416 10404 159 104 124 319 453 139 286 289 121 116 1929 316 163 286 277 276 211 289 myo-inositol 3808 1358 6968 4087 2647 7079 2328 45270 1750 12572 3610 1708 3920 2774 3136 3950 6575 933 3081 606 3194 911 8623 1533 1048 1104 2588 3572 2590 2287 3884 4724 31772 12955 2555 6014 1476 4441 5187 1015 826 3591 5073 1394 2837 4316 3027 2058 6204 3197 3388 3673 2290 815 1880 1516 2869 5288 11780 3000 8311 2215 3887 1839 2278 1840 12160 6939 1168 532 15642 3315 4203 3198 2920 2296 2174 4077 894 2642 3109 4777 1099 2827 3711 2151 2112 4925 1495 2497 3821 2531 3767 3625 3071 3788 3793 2078 1577 35692 5144 1798 10731 1678 2728 97116 8185 2207 8056 3475 4941 4003 1984 1536 4454 2813 3281 13090 2924 1346 2668 5472 1430 4235 2474 3969 5575 1002 1192 4802 1260 2002 4987 3462 1323 2631 8029 3490 5507 2042 1431 6053 706 2107 955 2878 1929 1255 10740 myristic acid 56711 29071 27386 26524 131698 31224 116227 48924 73703 39437 160944 81402 344049 9686 15350 45058 146602 117316 128327 20514 16840 30932 192027 159559 327080 25253 94721 62486 29968 71031 58607 30484 18470 61249 39364 45138 60210 29128 58777 422595 58390 21747 279237 143801 25070 33523 19656 24648 22795 18543 131943 58624 133476 33048 51730 34844 224880 31888 18157 124527 57362 83527 138509 121462 92009 53883 21657 40372 129314 85330 31561 126366 133993 25408 54500 66999 113742 20797 110951 21464 27841 9420 26025 76597 29307 71265 57332 14889 91539 113917 69937 11909 66516 39527 14179 16749 116927 64357 77268 26327 216754 62730 39320 140708 69964 8353 59521 92703 28793 194909 18133 14093 58638 35090 22759 21083 11226 14965 41683 65437 28948 371897 55178 28898 38795 18405 28615 35439 81442 88418 59348 28194 26363 47282 75574 56524 29303 82225 54452 19636 60159 17687 62054 14399 55799 25865 35406 111566 28730 N-acetyl-D-galactosamine 4920 981 1815 4101 1742 4966 2325 4409 4014 1241 3521 3258 12043 1123 1877 839 21019 668 3680 1102 2202 763 11106 478 1108 2075 2643 2305 6788 2262 2438 4317 2724 9469 3424 5050 590 1825 12188 2911 208 3423 482 3161 2132 4068 1312 551 919 1804 5872 3351 2008 941 5911 7795 1265 8000 9632 1415 1468 2507 2095 663 802 1198 3586 4264 359 169 4945 1004 1467 942 1633 1933 669 410 620 2991 2024 871 2479 4427 1920 1979 4872 2015 2166 1542 5449 1543 4233 4367 6359 952 3868 3629 1107 3243 3198 4133 2722 1802 1333 10691 7651 1529 11815 2585 65929 1850 2186 645 15494 5825 800 2552 1174 1936 3843 2910 1869 3712 4771 9335 2716 222 2844 1041 1426 1379 5376 1583 1817 1240 2033 2381 5361 884 2427 10292 585 3720 761 2789 2267 1029 3702 N-acetyl-d-hexosamine 1681 473 3503 6902 1673 10485 2738 3504 1048 729 2649 1480 697 17766 2834 246 3555 408 704 97 2670 374 4863 378 5239 1150 9720 1167 1461 7538 17262 11954 2142 6255 3017 3295 4247 9497 8649 2382 255 2393 4238 213 4520 6374 6471 881 3702 8569 8497 5470 1952 502 2143 1785 481 7968 3625 2095 5030 4338 11099 166 426 2749 9771 3160 65 73 13459 467 2409 2224 651 177 252 1370 384 2196 7361 1337 1707 1827 4134 2604 3118 6821 3867 3290 8471 3818 5385 6283 14139 11151 3455 5060 548 8134 2499 3456 2792 1869 802 4604 2722 2875 9818 8109 1207 3141 4582 1476 7701 9217 1372 20264 6153 1770 3405 5363 587 4715 2488 2917 1035 1369 611 1534 1399 5652 10061 2706 11059 1313 5371 11311 1408 5234 1678 7222 365 3523 276 7244 2109 806 3341 N-acetyl-D-mannosamine 747 249 2523 1588 307 1381 942 2729 1665 542 1098 2421 4545 524 901 377 9244 261 864 239 1129 250 3773 272 393 1127 904 686 1393 681 908 1443 875 4894 909 1901 358 834 4988 982 148 1395 384 1177 983 1368 481 213 473 665 7169 1119 745 30 2898 6004 522 3552 2889 589 625 1161 979 147 346 737 1356 1893 58 60 1883 104 284 300 774 734 512 1226 83 789 2129 444 756 1545 648 889 2330 779 726 1129 2083 731 589 2510 1899 787 1588 1399 352 1268 1321 1310 1462 1542 504 3826 260 594 6521 1386 65929 656 598 208 10388 2872 339 157 983 598 1049 946 926 1930 1194 2776 1496 190 2083 772 457 466 2564 498 608 619 1638 1150 2829 388 1381 3731 288 455 274 878 481 609 3702 N-acetylaspartic acid 60781 41779 7090 9180 11065 3421 1607 10583 1450 32691 33289 66939 30588 12987 34387 14403 20706 60425 7255 3356 23193 5840 44196 40428 11053 18764 6249 40823 5190 12650 6662 28405 4553 6407 18088 3766 14265 26428 16826 9594 20773 20531 977 16007 37667 54928 68096 29554 56803 20324 12329 10998 105120 37721 3837 13265 25750 38878 18025 2767 100756 12520 34319 33266 26790 15579 7484 5788 35686 820 6878 10618 783 794 8127 4499 13229 726 4460 15341 20715 2019 7342 30827 5457 25621 11184 2193 27040 4707 19726 3554 11418 30258 11784 41115 9340 9749 4336 82346 22877 14486 3659 35810 55058 15683 27443 18904 18980 24650 21770 6355 13751 3758 25399 29233 59411 14027 25326 13046 5118 9294 14634 21445 13723 33763 45937 1596 41402 6574 5642 38253 12430 3044 1641 26653 4460 12301 11270 6454 1290 3653 7868 20125 11706 17121 79865 31711 49995 N-acetylglutamate 22592 15015 9980 4325 5010 1029 230 3726 282 6725 7062 8327 15452 1350 9813 5004 7031 15327 5280 807 4798 2234 11162 7472 1398 2676 711 16288 559 3814 4911 7228 925 4771 3827 729 6578 11272 4290 9281 5474 1650 1218 7451 3183 10083 12187 10208 9758 5492 4046 3006 20114 9470 1367 5897 11138 11504 1229 1428 14681 6363 6531 2722 9238 4896 1386 2519 6774 141 438 4711 942 1257 5245 1688 2779 1771 3271 1953 8320 860 1509 7523 2395 7722 1575 3485 4728 4135 4470 12163 7792 10974 3221 6596 1618 6195 2977 6537 2649 9046 2222 7762 5905 3161 3460 2863 3304 6554 10802 1348 3898 565 3754 12310 2864 524 9852 2926 2088 341 5201 3474 10062 9167 8054 2087 21813 10097 940 11230 4897 293 984 1382 1610 4289 2667 2252 2547 1428 1683 1483 3626 5893 6776 7270 17015 N-acetylornithine 6312 3688 2480 3078 4727 3195 2122 9735 2097 3838 1923 9878 2908 1710 8477 2630 5200 8713 4953 2189 6346 1621 5518 2680 919 3313 1628 8710 9871 1054 4252 4710 1983 4042 4034 2929 3738 1314 5159 3903 4113 5596 3203 5416 2226 4446 2359 8926 2327 4680 5118 4678 6196 2824 2389 8113 1226 3833 10452 5415 8019 2476 3178 6160 5718 6581 2649 3746 3655 1036 4390 2113 3505 1272 3908 7155 1785 60439 4873 4965 3052 7027 3391 9632 4914 6440 3717 6342 6677 2751 394 17891 4594 6254 3579 10711 2035 3712 4021 5357 4184 1161 4562 8806 1533 3582 794 6840 6997 632 1772 24172 1680 1476 1282 7982 4044 10072 4527 4517 11136 1626 3407 4826 4177 5706 2941 1378 9654 8733 1948 7765 2494 1491 716 2543 12757 15539 2940 2995 5707 4896 6546 4050 4554 2336 2354 1612 6202 N-acetylputrescine 615 1086 733 1118 452 515 401 447 1234 733 228 496 445 635 320 672 530 356 329 454 161 687 386 2480 537 215 266 939 2924 360 48955 320 343 520 10467 440 19370 97 591 596 753 5811 303 1889 541 540 348 581 585 266 490 474 795 1508 184 472 343 455 43166 61273 939 329 420 227 703 535 375 93036 735 27 1755 416 1080 972 1041 493 1034 26101 558 1568 416 84140 1420 1278 107 670 73 1668 1368 301 126 2554 203 163 1175 3620 189 237 1075 761 745 232 56381 168 517 2647 765 358 2092 337 991 595 258 1000 10344 236 3113 3850 2498 258 1143 356 503 935 74 564 424 566 795 565 11013 1134 1346 190 1439 32565 1393 738 491 4319 1236 967 662 2257 870 3742 413 176 7364 nicotianamine 652 2021 2727 1134 1451 756 986 7867 603 456 2862 4424 557 549 2051 522 1097 1480 780 505 1949 1688 3631 806 983 1046 363 544 349 1958 1845 937 2129 498 1849 499 1519 564 823 618 586 639 317 2430 486 1036 2456 635 1872 2071 457 1731 525 639 1128 553 369 577 1807 694 1009 813 562 1010 405 3601 759 763 1930 288 1496 564 1321 1145 1052 2686 616 1152 341 939 2034 10525 312 397 149 865 530 4799 1382 615 2053 17225 428 294 1481 633 339 656 1019 470 999 1097 1044 578 2716 4357 146 157 1348 782 82 9774 1189 577 2893 621 1105 481 359 478 6026 722 489 1348 1501 581 1009 1441 473 333 3650 3225 3918 166 9088 16052 2193 974 1255 2338 2453 2178 8218 43 964 1132 156 1216 791 nicotinic acid 22412 11268 69689 68751 44032 34975 24614 21725 21416 12867 34533 20737 10560 53187 35429 6227 45797 11971 7558 8097 33962 5921 31555 12582 7622 86583 17913 54061 52794 10395 27825 47690 14931 64288 33346 19476 13340 17383 22949 8993 21479 10297 18546 19900 26498 35067 24059 15842 29533 30565 26752 15257 24584 20941 7694 9259 25756 86380 63162 13494 20898 34690 19135 9128 32960 42069 35124 25064 7308 2384 23342 4213 35103 31209 9365 4960 15144 39487 11703 21925 19001 19217 7998 19646 43959 51780 21777 43796 46822 43757 33625 24818 22446 37556 36258 39899 17672 14782 11488 37564 10400 45934 41734 15464 8318 26190 7264 26909 24452 7547 18203 19793 20237 840 23178 40133 49474 48127 34647 46911 27593 12383 20415 40249 27989 54716 32573 4627 5893 14015 37851 74201 48246 25189 37294 54129 53553 28731 19183 31304 14605 45233 24394 17933 8442 73781 24811 8827 144869 nonadecenoic acid 17872 22321 5810 6038 18679 6186 4397 7834 4123 8234 13190 17099 10097 1613 2758 7687 5396 13320 12346 3326 1161 6106 22185 2433 9211 4719 15700 13028 1180 8897 5344 3972 3689 1696 15418 5459 7229 3728 3223 3611 4256 1865 5704 11349 1899 3165 5414 4441 8902 3848 2859 16090 4590 4611 4409 3653 15558 4386 1745 15629 7409 6341 2352 12202 13244 3773 8190 9997 15026 10860 1917 23390 7411 4877 11606 19767 18824 1494 9842 2496 6018 4803 2314 4284 7156 3420 9698 1596 4648 2534 3817 3265 3135 1723 4424 1860 3950 1454 23233 4146 25398 11601 8123 4303 7116 3599 10225 2937 6472 3129 2278 38822 7838 3923 1728 3059 759 2661 2665 13675 5228 20814 11477 3925 10133 4154 4977 15166 10214 8931 1288 2046 5513 1876 9418 2110 7526 1823 5687 5132 4891 2491 8600 2189 12936 2958 9239 5461 4850 norvaline 763 340 1807 1450 2259 1141 1303 1203 52161 735 1045 2974 481 52902 50398 463 2345 681 750 3988 3179 8688 1225 584 442 4882 1993 956 5670 457 1923 902 1710 2814 3740 889 11002 10694 1060 3510 3187 3613 822 696 28534 1099 17369 12250 723 750 1551 1937 343 1648 1269 1531 805 20010 6969 3606 467 974 484 1941 10481 12686 2702 6518 364 883 2182 8076 1738 685 2047 5914 1175 14593 11901 3393 14245 15132 62626 1400 11774 1444 1725 3108 3246 2263 842 47069 860 1223 2376 54082 753 1483 3444 9338 2183 2408 3316 984 441 4657 16687 1138 4866 16021 14333 7789 386 14399 8301 1563 2147 2162 397 1910 37981 15810 15313 2505 842 3752 3871 1838 8966 709 3502 1331 8801 29730 2967 1830 3039 2862 1913 5609 7854 1348 1250 87471 1838 1873 36786 784 738 O-acetylserine 17447 572 5245 796 1136 1007 232 849 1522 1236 850 2310 773 533 1161 553 3057 1550 2093 1903 2242 1448 403 152 246 601 3581 228 1175 132 1238 6206 1112 1813 163 1023 1754 1248 1488 704 683 3205 22003 3423 7373 3721 914 560 1992 751 1414 4091 1453 3914 1587 2564 2460 509 2488 2348 847 563 796 2005 1728 1091 1703 5202 1246 340 2239 1535 484 773 1535 1865 1032 2043 1266 2162 569 3044 4066 1221 735 6021 1102 4663 917 509 2665 10550 1974 209 1929 1473 522 639 244 6790 7030 277 3032 1908 421 3009 640 210 10796 741 804 1634 598 602 1528 1613 2841 1553 243 714 1926 1595 1629 1700 685 6278 649 1482 249 860 548 1750 7092 8088 1905 2903 1311 1792 3526 3771 2541 1799 3100 1142 2644 341 1835 460 2194 octadecanol 4452 4542 14942 10150 13933 5260 13657 6091 3732 60262 9207 65446 6806 3893 20228 40435 63478 117086 4674 29351 33086 7555 23452 2335 40504 10108 8319 3615 3168 10184 12133 20092 5424 30813 17634 4992 6613 5531 7486 23445 17898 4334 25555 51311 6404 23268 19829 27587 10284 7426 8543 6165 48502 38187 18012 20453 54410 8836 2152 12971 50287 19044 18252 26961 84315 3499 4476 16078 6404 17043 6815 8702 9287 4058 68597 14792 44968 1355 46594 15470 15030 1349 37619 21092 5211 10723 21081 3635 8027 24807 10360 6163 26189 10491 9712 7326 18857 11918 3927 9070 76264 29433 10428 48321 25929 1459 3423 18672 12432 33045 15548 2457 8938 7805 1438 7629 1613 2801 19726 17091 2114 2884 11343 5903 4884 10756 11329 13001 2606 3301 2207 9551 7346 6974 2893 2976 4679 12303 14330 2307 8311 1403 11135 4261 11920 9380 12423 35678 17839 octadecylglycerol 742 325 12561 783 702 4173 375 283 9364 8489 752 535 314 2754 1540 958 1369 195 1739 339 4843 277 1105 477 8732 62 1919 1252 12570 790 9026 1195 2348 3250 1845 5762 614 629 3658 207 293 13697 1007 417 8729 1718 3397 20155 501 10138 571 2591 685 1143 6181 893 1014 1628 9772 15315 882 791 937 1457 600 21876 423 18358 534 2174 1661 2886 6533 4218 1629 2651 649 903 1662 1725 11309 4387 446 1102 2976 3316 2851 2285 1476 2365 12061 5142 1851 1266 5176 6904 1271 838 252 10282 1509 579 5101 1000 754 3677 452 1589 6804 831 2886 7416 758 531 3745 855 5029 4988 629 5190 3520 613 8781 11881 435 1358 26299 13309 22 717 2174 2482 1560 5744 966 3134 15220 2848 2159 2070 2697 6491 1681 11172 769 1009 11543 1711 15573 oleic acid 135721 83628 341483 207652 564560 457865 377780 635609 65193 33227 872588 427795 221724 69492 15085 160315 452973 199977 225107 95705 80285 990776 466615 119366 212181 158287 430468 611471 187821 695349 225109 433814 509337 223572 834909 999480 440773 471434 289061 144687 25443 43661 125306 53325 78126 624800 228292 208458 559450 99019 150307 242246 156352 193494 707332 115760 357702 261736 149485 572616 105454 140162 314605 334226 192794 1171742 445687 131009 230428 412104 440303 173545 746439 228893 115002 772775 159604 13148 135299 211052 309314 79532 179207 120387 156007 345418 295038 116484 801594 285120 164589 39994 23753 95673 40138 22142 309685 237229 442101 70472 140102 257041 43533 76733 734058 17069 88248 118669 1132381 593431 783163 20083 290476 283564 96790 352917 11315 773642 288694 95711 169629 249829 77174 688969 619991 79546 622989 94745 162198 132649 527088 52265 643935 38568 588625 103235 528337 78801 396988 794458 75397 55928 964882 69601 1139412 32805 192704 316803 29114 ornithine 11029 13398 30907 24450 35896 30816 19148 49648 24684 17436 12135 66100 6145 81869 133588 9067 42659 27507 22508 40118 88587 9491 30177 7956 6398 26897 25823 24610 352321 5694 29378 23516 37167 48070 34081 49075 21214 3795 44665 27829 18062 37828 15935 20095 28784 46511 24235 31278 17967 56993 87002 69610 12754 40873 14208 70506 7322 34690 158247 85089 41911 15076 32272 44503 48652 95408 54783 42618 10181 5162 116148 10192 59257 11267 26890 102770 15102 18250 41665 4609 11757 32942 11120 67954 91325 97621 131868 188608 109864 23327 8276 31256 17333 62370 37927 132809 35146 41856 35633 63237 20619 11813 27157 71117 9061 84519 4028 116761 97340 4890 10746 56220 11377 6872 22254 37368 24772 176915 28181 50420 71799 23349 64795 74835 8995 55052 25328 14044 15232 19306 20574 57427 79083 95067 11809 35383 150188 114625 36777 14419 37038 420605 11725 81208 29991 53256 17141 11339 44971 orotic acid 1179 1774 1144 419 4163 871 1121 768 217 1280 434 1552 602 291 6248 733 715 1675 542 1298 3866 299 1350 1322 396 394 88 13683 309 483 683 634 510 2940 1653 250 1205 462 493 790 680 323 157 1279 252 434 934 1199 534 583 419 683 2746 617 391 395 1068 313 534 620 663 558 555 628 2646 2966 293 346 989 88 402 594 934 267 468 775 498 230 1437 331 819 220 304 1991 215 467 128 567 445 611 795 1037 930 2595 686 765 155 1176 691 1114 772 321 782 960 176 2988 425 911 2280 412 429 911 244 220 988 1542 808 181 409 921 580 87 692 689 595 6733 1443 530 651 678 244 5161 908 44 533 517 740 1005 478 780 674 1301 315 891 797 1080 12574 399 1548 palmitic acid 912216 1035038 696498 503831 1025034 760802 871696 1015360 1349781 1152257 967095 1265093 2233678 296376 483391 1168774 1052240 1070621 1231472 567221 640067 1271211 1491128 1805611 1683212 700428 1285247 1381824 762162 1428963 1015933 660570 716428 737771 1138079 976790 1286127 926163 936049 1322011 1086080 499778 1527611 1669096 572543 792837 725215 790455 834249 690766 1066991 1611799 1750511 1006508 1277065 1034884 1113350 770596 604221 1346686 1418155 1093169 995842 1858801 903468 1327892 1331521 705069 2033685 2099734 1019882 1406646 1173185 1126389 1434745 1236048 1626152 445022 1964210 688353 1141883 376173 935120 1721862 549301 932586 1113117 924569 1358191 1437538 1238683 549228 1485855 787487 515703 493793 1158230 939261 1003052 688164 1524635 1282463 746945 1031086 1366087 247758 864593 946694 777032 1741606 737979 295194 1601920 938697 538476 1054389 353709 518785 949572 992109 560265 669594 705163 929708 1106029 627824 897141 916124 1241987 1307111 828153 582923 776012 790196 1363888 744618 986953 949935 1095563 935916 1754470 496479 2516133 546429 1073452 476540 926535 1448525 621523 pelargonic acid 30922 26818 34893 34566 19755 36107 16588 25123 33495 24467 34466 13495 33997 21485 22285 16421 17852 18059 16449 14483 13528 24689 22603 13806 21284 20672 58929 20334 27920 33342 24987 32530 41028 49098 16016 36854 32002 26996 49818 16970 23465 48569 32793 16061 69880 42298 27835 23793 20296 39981 14067 12512 21049 20446 30732 12020 23679 53064 15693 16546 15852 21502 25464 32172 31537 29517 34236 30230 16510 21713 26584 17245 25870 19823 24072 22923 22197 20339 24996 39447 28456 10222 17224 16989 37589 34354 40413 25456 20485 26372 33951 25672 14175 30042 26034 20187 34278 21010 29098 38660 28682 27863 25949 21928 17052 20381 32988 49670 30461 33775 23870 27485 20428 27899 14022 22119 24110 22337 19932 21152 21467 18778 31687 21338 22319 22893 25321 24940 18478 39902 24496 31539 21981 72981 21684 17288 14837 33809 20920 20576 13437 10006 23434 15537 16487 29887 62366 16979 44591 pentadecanoic acid 881803 653081 467510 190847 250818 207593 211721 475876 142852 466507 353565 410048 1157949 33541 201674 353964 518526 622872 522215 422423 264323 253624 492661 1022843 592835 232626 260417 411421 54742 231449 212493 384998 104107 441196 200076 259596 222413 159148 174472 265605 421415 56222 421238 528753 69940 426463 208165 350052 338942 115120 256581 151543 617927 533673 247592 390499 522906 121244 88093 351268 398654 279328 252204 671755 420029 84077 69637 255792 2008161 234627 74886 726251 268213 108931 424860 299087 583459 37692 865988 177169 351325 30998 348477 404408 74864 223300 218342 32416 190015 296809 209791 60449 362713 157356 81996 95420 315800 165049 518340 77386 830104 542858 75117 538914 274562 18333 387098 170423 117845 395408 223461 7574 263399 148789 35245 174407 33711 52091 214985 177907 39103 195657 417676 164802 531402 253012 268188 418654 787815 365550 44850 473628 202198 85375 40515 73273 216825 161008 426724 35427 303312 67754 363890 26588 246589 86229 223622 458488 172539 pentose 5193 3872 10809 5587 13139 10560 11974 4131 9435 2684 8211 13557 2322 2060 3415 1577 3448 4391 1599 1255 2709 3151 7968 2413 2286 3462 12839 7432 4768 5736 26305 9666 10207 12339 5603 10045 11964 29804 17692 12334 2185 7364 2559 7374 19100 4357 6946 15256 5013 2467 38101 12469 1970 3763 4093 4458 1687 7352 6690 2881 2164 5295 17863 6985 3850 5523 20995 41212 1618 1082 18593 2382 4150 2521 2788 7493 1957 14381 2781 5738 4095 3865 513 7998 34855 9498 16690 7096 5925 6765 9338 6882 12414 9033 31032 7935 10990 7009 7450 19528 4900 4296 6262 4379 5799 12276 10822 31910 9277 2669 24708 24122 16410 2496 44856 8660 18473 122647 8665 5203 42047 10476 6322 7251 6579 60576 2202 5156 2076 4721 12697 36975 18641 8076 12103 9378 6212 26167 9442 14113 2126 18066 4582 6608 5975 10125 12687 4437 23633 phenol 4981 2874 5674 6139 5019 8165 2376 3084 4594 4400 6727 2599 5119 2737 3239 3790 3558 2502 3182 2363 2394 3352 3862 4532 3689 3212 9034 4372 5327 4002 6367 5305 8167 5347 3198 5462 4983 3301 7827 3149 4082 9190 6449 4965 9717 7883 6052 4097 5071 6599 2395 3420 3562 3948 4651 3218 4635 6695 2762 4014 3838 4552 3990 5214 3511 7375 6876 5355 4680 4467 4592 3360 3774 4864 4471 2917 4128 5736 4966 6860 5627 2668 3759 2850 10816 5550 8029 5155 3988 3933 6187 9754 3801 5015 4880 4517 5683 3900 3533 4160 7969 3867 5838 5603 3388 3976 802 9506 6931 4802 3854 4698 3873 5568 3260 4384 4637 6309 3270 3831 3299 2895 4697 3813 3882 4680 4437 3784 3720 7755 3000 5096 5210 13509 3680 3259 2616 5587 3284 3228 3233 2498 4745 3421 6207 3695 10624 3360 6562 phenylacetic acid 551370 250547 84569 230293 64012 74637 34789 115944 98358 111537 87147 40926 77828 23697 74266 45690 52405 38095 98411 112472 106139 82401 70863 85164 5584 93938 105024 117170 164379 76522 17506 130000 54632 57994 47364 84284 60399 74979 51312 28785 388377 106895 60492 58585 63001 168915 90164 17864 73869 59096 55808 58485 189512 192256 56687 83859 101062 57309 67134 90659 45715 51625 31962 29811 301390 96020 21841 55369 89246 40181 25348 46832 121172 59254 105735 162717 84204 63292 238639 203549 19331 98019 220896 55743 148685 102688 255563 16425 103489 139767 26488 60982 34630 115868 31156 132874 98206 22054 187025 100577 72227 42572 149016 174931 37786 8678 10346 158734 153255 93495 64814 3514 25690 54376 3999 87075 21510 95797 38781 120156 18921 33324 230517 68073 164050 68598 124649 148749 53488 121260 39809 133711 64307 95657 22175 49345 88974 59855 79087 3169 23251 35263 83234 30464 150532 81856 101820 76560 208913 phenylethylamine 357 135 557 828 587 255 332 685 1250 724 259 533 372 541 11844 193 1418 215 404 487 3839 245 809 533 378 145 472 386 6698 294 942 296 432 276 498 422 375 77 526 207 657 12574 276 924 389 553 684 380 425 1033 496 543 836 793 565 553 466 361 7583 487 520 812 318 1036 569 815 163 744 195 288 696 442 438 1546 1155 380 544 3137 485 512 264 7043 390 490 741 1097 8132 414 552 333 1117 5415 353 532 251 15520 714 363 683 884 590 293 922 703 158 343 303 1126 1295 155 338 2086 178 238 294 463 541 1383 299 361 7846 157 1021 569 388 1004 327 426 418 356 543 755 736 1067 792 523 3509 452 851 372 223 1180 1278 2038 585 1179 691 356 3019 phosphate 78036 155399 29532 9338 133990 12719 94026 64104 11828 111638 25862 63113 156936 105088 20575 160710 33004 97644 38262 43941 41158 706112 186446 265932 78940 181150 7411 84434 8253 62266 143036 14318 40119 17962 13776 9806 511277 94518 16424 51661 34369 9415 39708 79501 9059 20219 14122 458905 30124 9736 269772 196034 249333 81013 31307 381979 44040 16692 30208 33203 200184 5355 32597 57199 20289 12377 15333 12252 274714 246572 13353 115992 41498 312319 222429 79550 663684 15737 305988 16790 102297 46540 19865 494502 7297 173562 9862 18464 64943 28146 11497 1009065 533733 64423 40374 35099 13048 91932 59976 115380 43411 54291 8544 55265 181252 256492 83549 3798 22952 62945 489327 9587 556415 90585 8913 227172 572811 12164 51650 127651 15876 8833 45777 115875 50682 41326 37559 195782 47348 44967 192778 183269 52792 4215 183370 181366 204599 68351 47677 109252 152661 22360 460236 9136 581813 15071 35232 89580 26623 phosphoethanolamine 529 1701 809 1075 1829 1089 270 1241 1084 718 691 1660 966 1062 1330 647 371 221 1732 721 1142 1356 2451 1407 1550 705 440 3868 542 1475 2620 476 1650 289 1379 1241 3349 338 533 231 287 1059 2189 2455 639 809 2727 784 2839 1258 1156 3044 1150 1936 898 3086 667 1182 445 1066 7398 1250 2278 719 479 2079 1444 761 519 992 2294 1091 104 1615 1984 1562 283 475 1718 1606 3283 308 1000 980 375 643 179 502 687 302 90 3500 5076 1490 1510 133 284 882 165 992 807 3383 822 1303 1200 1496 264 126 2111 861 376 1132 2623 1078 492 4694 4197 615 606 614 142 596 638 1028 2369 560 585 445 877 751 488 1461 516 127 807 672 2611 1074 1026 384 911 1061 1137 622 3377 322 514 592 834 phytanic acid 78401 27283 2484 5220 6452 1618 2791 3230 4958 2756 3495 6880 9780 136625 3286 2027 3999 7915 3492 4052 2102 2607 2916 17724 26889 4423 4363 4497 914 2548 5241 7647 1668 22405 2288 2022 2651 2519 2807 3026 5868 2730 9001 11188 3746 4204 2727 1468 4135 1638 1371 6288 6186 2902 8940 1671 4055 1829 1682 2201 2827 4905 2772 1927 5705 1159 4082 3528 7292 3985 1478 3819 3611 2258 10945 5220 11611 832 2943 2595 2265 1256 3632 1628 1626 4882 1860 971 6279 2288 4886 1089 4998 2246 1352 1214 3411 1993 16373 1649 4251 2333 8941 10426 1544 858 11850 2782 2153 2928 6801 1639 2273 1406 1124 804 918 1574 4147 2141 5762 1382 4903 1619 4311 2808 2446 1686 33368 8452 1382 7284 3023 4123 631 1038 2592 1652 4754 1249 1402 1133 1476 757 1896 1183 3250 1846 6159 phytol 9693 5315 49422 27191 8673 35630 32707 57853 4458 8863 45961 23599 12088 7423 15025 25304 31191 44108 15722 41325 9604 7723 16280 2307 27968 9614 9122 9772 5001 13545 25532 8245 21497 72094 8267 11768 17183 11117 46758 42193 9488 8548 41884 2500 13275 29156 23168 10218 49303 20294 6139 9091 12916 26894 16186 12394 33438 33628 4628 12696 13733 17445 9544 11139 190231 7912 6799 32148 8578 10447 17301 12271 8857 6612 18631 6306 15646 2342 7130 8923 170707 4034 56223 5559 14529 12124 15885 9909 17187 22519 22376 5814 8727 9620 6365 6235 23449 11489 6142 9825 16746 7206 42393 55446 9725 4022 6394 11180 156441 44543 24882 5378 867 16552 5578 10815 3489 14419 29779 9458 5853 3086 15717 14130 15350 14539 61008 11261 4864 5557 5168 25293 5875 9754 8688 5005 10941 10108 11495 5846 14785 3797 16025 3379 6705 8606 23268 8378 15686 phytosphingosine 1301 536 9374 2394 778 3585 511 903 15464 3871 3019 855 621 4048 2128 4241 1531 690 824 425 3558 976 1190 705 672 631 2435 1324 5716 1105 4715 2446 2811 2710 2251 2679 2097 1283 1307 627 1656 6413 1291 1114 12157 1704 3125 922 1156 4771 1743 4016 702 414 802 1779 920 2453 7562 1133 794 684 1873 1709 993 7683 1246 1645 1007 3169 2427 892 1147 1061 5500 4648 622 973 5796 1849 10108 2412 1281 1036 1696 4493 1020 1454 4581 1399 1301 3145 890 1382 1156 1636 3884 1221 959 1596 1506 432 27160 868 371 1837 3849 940 2858 10351 12924 7591 497 1612 6607 1013 3102 4183 1699 4689 3571 559 504 1196 1006 1292 1248 3289 1934 2774 1838 2851 1624 1328 2870 1463 3271 1390 1466 5023 1509 2006 2360 1126 1048 1180 7751 973 18914 pimelic acid 20262 8768 6229 3504 5497 4051 4725 8195 5852 7193 8640 6277 9205 2157 3337 3782 6111 5481 4515 4440 2717 3792 6150 10978 8120 5052 6796 5876 2401 4726 4494 9541 4321 5684 2483 3353 3429 6065 5042 4048 11426 5136 2539 4934 8532 12618 4095 2952 11601 4396 2842 3368 7072 5093 5230 2533 9671 5985 2923 2727 3228 5275 2347 4153 10342 4392 4595 4804 11507 3328 2889 2441 2617 3230 9863 2883 5950 1010 3330 13506 6848 2334 3714 2607 4774 8901 5253 2691 3732 4300 4252 5563 2147 5165 4106 2874 5073 3773 20449 7790 6166 6533 3392 12188 9166 2267 11455 5046 4894 5478 8413 3329 5018 7702 1656 3661 2962 3412 6359 2886 2662 3105 11713 4599 12755 9824 6074 4356 12649 13220 2233 7284 5154 4582 1954 2949 1648 3196 3415 2948 2412 1239 3312 1369 1289 3550 6607 1969 6671 piperidone 11246 937 1161 327 709 342 546 434 194 606 530 277 1324 261 18425 152 504 547 701 265 2841 242 542 740 207 205 812 248 861 98 732 321 387 762 744 263 158 452 1013 305 19804 9392 454 1132 526 784 655 161 585 623 594 131 1083 3159 348 252 406 705 35174 290 407 397 309 987 10088 259 187 376 603 242 1236 572 1431 345 478 351 196 3312 528 294 460 15294 579 747 577 4342 939 803 6252 848 482 731 174 753 526 3104 461 232 742 11035 289 618 133 495 316 3023 392 1930 449 1107 144 11312 162 391 187 289 4486 536 397 762 80007 260 2471 351 405 349 603 9168 458 887 3165 442 208 569 226 24646 10141 502 161 4066 204 17000 315 35607 412 2463 22254 300 1126 pseudouridine 11572 1591 9310 10396 4757 6531 11046 19969 12920 1505 1905 10639 2939 6340 22468 568 5469 47916 6142 2444 3213 2001 1656 2217 2913 4269 2523 5725 4222 2427 2158 9047 1039 10864 4908 5359 2593 9558 3272 6802 630 13646 2679 2619 11554 2388 5513 1067 1631 2573 12632 5674 2550 42904 2127 7336 2841 1526 2898 1505 14358 1505 15749 12656 13624 14425 963 6207 12827 7345 986 7274 1124 334 13539 2849 4705 1937 1616 1804 2684 2169 1009 431 1367 5053 950 2728 3728 300 6683 3834 10484 7456 3884 952 2420 411 17049 1174 1439 6299 3138 16744 2050 15003 31818 1064 1446 3999 1247 17528 1715 2286 1984 5532 7347 2340 5074 8587 1210 9662 7719 4622 5373 8554 2207 23070 990 3908 695 4237 7088 931 4467 929 13287 2349 3508 2518 3867 5656 3562 740 801 2469 5923 553 4525 pyruvic acid 4123 1311 4553 7150 3477 3657 1225 1628 2095 4067 2022 1759 3888 636 3566 2790 2324 762 2342 1684 1119 1183 2744 3322 1171 1057 4397 2140 2169 1258 4310 4587 4477 2269 18083 2392 1895 2881 3870 1681 1292 6942 1521 4814 2721 3733 2370 1827 3620 3317 1615 2446 2687 3900 3137 1413 1814 3472 3825 1733 2729 3110 1489 2000 2670 6441 3575 2409 2957 1623 2389 1794 1327 1462 3901 1859 1825 4580 2423 3260 2603 1651 1543 2035 7654 2174 5640 7031 1355 1119 1568 4914 2616 2572 2488 2965 1958 1027 2624 3110 3139 1117 3498 5099 877 2563 4336 4610 3099 1690 1958 3017 1188 1078 1862 2004 2254 4188 1657 1074 2731 1181 3154 3236 2204 5003 2228 1298 2338 5994 789 4498 2310 5732 706 1394 3569 7103 2359 1549 2540 6470 2228 1322 2910 5584 2401 1247 10662 quinic acid 1358 1676 6283 13252 9720 6391 4425 32497 307 5733 1180 2290 11913 587 2996 4474 2982 534 3400 407 310 2318 4429 40193 1511 700 9290 3845 1070 1046 66377 10462 7028 3000 418 2571 20475 3258 32386 576566 397 652 1103 7022 1269 4251 597 8444 4562 695 463 85785 27736 287 7954 524 1103 4011 608 4099 6801 10909 5470 8297 546 2136 3466 1829 564 3592 21142 1221 80829 1951 423 1297 989 1064 4033 780 4294 258 1471 282 3648 11033 260 9901 2146 214 7077 17093 12205 1691 332 49106 3193 49362 1535 8899 6525 1433 4011 10131 187 14209 11031 942 11655 9848 1353 12042 344 817 89598 3914 1063 24385 6823 774 1795 2273 4754 9857 3212 2514 3069 768 5546 8182 53815 2422 12928 643 759 164387 1798 2836 9006 4477 257932 3623 217034 32142 4180 49625 33684 5155 922 raffinose 34 26 373 559 130 742 80 127120 427 176 64 63 71 128 3 128 147 69 85 61 31 39 28 58 80 9 145 105 71 52 308 483 277716 141 157 190 120 117 400 89 64 1758 101 121 1113 259 233 545 131 951 46 386 135 31 68 96 66 1025 3999 226 133 393 80 228 71 112 69 496 69 54 277 87 2288 181 59 183 79 97 60 166 266 341 26 385 763 219 6130 532 104 217 12702 727 158 728 563 1426 138 728 100 127 244 141 595 105 68 219 81 2240 1874 94 162 760 138 140 746 130 1004 361 53 223 1221 47 72 373 96 1326 1235 442 28 115 38 67 277 874 927 1521 28 144 183 376 33 470 60 504 124 169 804 145 619 ribose 44011 12649 113842 114240 41541 54097 99897 21385 18308 16286 28137 17840 18419 16292 53451 8027 59255 25778 9427 7672 13234 4935 42180 19254 24602 8012 58640 38999 20993 30695 35006 59970 17839 95234 26215 29737 19674 23165 61955 19518 14002 22922 21292 32212 50142 98755 48925 26268 62657 27871 26615 20518 27695 11508 12337 12233 57178 79839 21713 19477 19275 35880 29200 19283 30834 33885 45836 71946 10340 3224 35515 6689 12752 11913 8688 9638 7931 5292 6591 47727 34284 2954 9502 9357 42417 12777 40705 48995 16929 92261 94012 30167 14263 78443 42146 43268 44604 24127 27548 42061 41501 107272 55708 71770 5293 52930 76988 120705 122445 32288 54443 15208 58542 11535 60044 46050 27425 99355 41049 70860 14421 26557 22706 27166 38860 65656 21177 6662 15950 25347 9211 20367 26682 50856 11185 12774 15287 20862 17746 15333 7240 42762 4557 17144 13580 78658 85372 8836 157470 saccharopine 1699 1852 528 522 455 1600 233 1118 584 1237 596 296 3875 254 1136 1586 14279 221 1117 719 1718 1071 11844 634 692 359 382 920 315 326 5994 542 436 343 1040 278 6107 706 1271 693 623 2311 431 981 426 261 548 570 384 515 327 2099 10197 1552 762 438 1550 797 5727 1177 5408 786 504 542 2637 2651 208 547 1310 528 455 1430 1088 701 590 544 1293 1074 426 656 869 3148 213 271 143 28543 196 397 21855 303 160 1299 1270 6794 658 558 271 542 610 897 463 992 756 574 788 1170 71 184 264 433 93 4620 504 257 125 428 3315 143 374 616 45433 91 4128 546 598 6949 612 1553 566 439 449 5317 926 142 666 391 1965 3174 372 482 91 469 347 221 545 553 425 396 808 salicylic acid 742 354 619 1019 452 701 233 523 418 589 791 523 451 878 1128 12141 325 180 351 535 270 283 444 413 583 560 3912 2802 2778 461 996 712 1975 430 1206 649 490 633 1145 255 1415 1735 5166 289 1212 625 942 388 19449 768 556 520 507 309 619 459 608 558 674 440 430 726 533 928 523 556 1262 1270 1801 520 1205 448 242 589 330 390 617 681 414 1639 649 291 476 327 18453 694 1053 834 584 373 679 748 363 494 824 551 596 405 383 921 1371 452 614 419 430 409 482 3853 1316 1088 546 2612 853 7292 875 546 592 7429 313 1998 437 4144 517 910 516 479 4239 484 359 817 450 670 593 1156 400 837 309 864 290 280 293 358 554 447 379 489 1578 1146 645 secoisolariciresinol 1430 1113 3293 1021 1589 2291 894 5370 1223 1632 1908 4649 1227 3220 241 1162 591 1074 3390 300 364 2624 1481 1102 595 1202 589 1085 44 2956 998 2538 1999 1111 495 985 2580 1530 900 1288 308 869 2158 3782 401 2090 857 188 2261 789 741 499 308 114 2656 1227 3296 325 515 597 578 1470 1750 281 533 1559 817 2485 3779 2313 1256 1552 113 445 676 2714 456 918 375 1056 1245 895 1540 178 759 761 147 1318 1311 164 302 1456 636 759 913 128 1083 1398 1299 30 2851 1659 1276 1559 68 341 1858 532 615 7578 3252 798 877 1121 510 1330 834 1046 218 104 248 420 4516 180 2578 2023 512 94 641 692 86 1391 1394 637 81 1040 115 1080 1646 656 355 354 4595 488 728 125 101 406 229 shikimic acid 18837 10114 8877 9497 5454 5394 7231 13191 3015 812 8825 5802 7100 2602 6120 3744 7000 5146 5262 3889 3739 5010 5152 8597 10221 4646 11885 8243 6592 5186 16220 11350 6471 6107 6476 5045 4132 7078 6466 4374 8192 5976 3315 4546 7801 12043 5409 3425 11970 6912 3759 6316 7591 5063 6899 4708 8993 10815 4840 4829 3091 6772 3574 4564 10181 4865 2880 12940 13576 2725 4606 4502 3168 3223 12728 7774 9179 4880 6684 15346 9017 6068 5775 4946 8792 7765 6236 4468 4750 6885 4503 5704 6125 8863 3541 10086 5092 4750 16312 8046 9133 11040 10026 10554 7803 4065 6185 6098 7574 6558 5495 4586 4012 7218 17474 4490 5503 7252 2817 9717 4323 5722 8166 4349 15085 9276 4599 3113 13412 16210 9889 7787 6614 3684 2887 26293 3253 11544 4360 3842 9473 2203 6609 2456 8874 6559 7090 5048 7323 sophorose 68 34 386 797 193 312 54 109 1036 35 50 103 120 570 123 48 63 88 85 101 119 96 156 126 52 346 117 180 97 683 138 339 413 548 456 113 46 212 37 53 184 136 1141 327 32 187 284 134 758 50 167 84 46 100 132 47 92 8019 460 122 178 37 46 34 228 193 5342 80 57 476 40 1089 193 168 114 51 77 42 331 209 193 127 1144 233 40 24 132 33 85 388 398 415 99 1017 267 60 127 46 613 295 276 338 140 23 489 78 117 628 106 70 1536 13 85 879 222 384 391 41 382 120 155 135 332 19 1492 414 2566 41 268 98 209 51 119 68 72 201 151 324 426 222 406 140 517 203 246 285 117 340 sorbitol 9438 5058 14680 2032 9583 68294 5249 7605 849 2752 8218 3873 2511 3388 3037 1720 3254 7644 2337 1163 3369 1600 8929 356 4486 2257 5953 2776 2773 8793 11590 19374 1457 3671 2300 41546 2661 3315 6896 4003 867 3978 1075 1942 14420 6887 1173 3752 5016 2879 4890 1797 4524 5273 2226 2757 9193 3409 6510 3533 5269 1328 6278 2714 10643 5414 12326 932 5524 751 9507 2376 1145 1240 2938 5808 1656 3862 3599 4108 14364 4195 4212 14787 15735 5957 574 23806 4060 2214 5215 3143 3318 8703 6176 6846 7070 6200 5108 4886 6620 9456 1467 3040 21455 74564 14858 2978 12482 3018 4709 27819 10176 1888 28061 8291 7497 22202 1008 11181 4266 23218 3209 5089 12209 6820 10022 3938 4444 6368 4262 4197 6917 1343 7854 15756 2251 3822 3997 3936 1378 7855 1154 6330 2784 5670 5383 4649 1859 spermidine 1528 1423 3908 13570 2776 11695 43596 1469 1999 52483 828 2391 1483 895 2770 58654 3641 971 2196 48749 974 1006 6294 1041 956 1581 53218 4839 10582 3314 3858 5409 8996 1996 1887 46061 1168 1584 6520 1567 365 15111 5057 3140 2623 11776 1295 2560 2908 3191 1025 3722 1051 40236 2031 1775 20529 30466 4078 3469 2391 1835 2841 2158 3220 4418 1234 6084 63704 1625 2646 531 1748 1259 1483 3822 655 5484 797 3161 11531 3270 999 2206 66024 5289 159982 5283 3594 5213 5409 1018 1734 1926 1812 2890 39676 1260 665 2301 2082 888 11284 1782 4231 2328 920 75264 23412 3650 5926 6820 1478 1931 894 5366 888 18894 2925 2377 2599 2330 16941 5555 1909 17429 4385 492 1077 1262 811 1557 5083 203463 1556 784 2400 2758 3272 7670 2467 1596 4628 194 2093 1750 1269 1344 826 stearic acid 5746821 8820208 4271721 3469639 6912851 4537299 6910780 4270383 6595021 9035285 6743974 5251645 4521042 4598615 3374053 10458664 5349443 6323938 7451385 9183863 4968131 8465261 4349252 7327693 7732751 9551498 7305907 6082414 3656183 7327674 4802420 6306322 7352717 4708434 5425009 4661035 7454004 8788765 5836732 3591383 7659898 3555700 6450936 8067700 4141267 5693725 6410425 8134401 7540099 4952815 5922782 6556632 7045565 6948584 5663063 7048777 6897811 4000174 3410952 6151445 5044019 6724858 4778674 6441792 5192340 4562871 6088518 3373906 3158704 6828845 4493011 7500936 4285476 8338944 6924499 5593377 6393222 2334065 5705235 6922122 6873192 2204409 6876165 6665085 3563452 5023774 4778795 2927089 6229476 5287960 5623231 4913756 6846042 5295348 6912802 3075339 4948417 7126494 5517314 4698648 6457063 6383061 3461140 5786514 9445776 1949768 10060115 5380345 3531532 7894225 6918444 2136370 8293571 11794468 2345987 7620926 1912090 2203338 7420998 5660630 3250554 4819461 3549151 4991907 8259694 4143500 4944035 4734196 8512414 7861829 4394113 4862284 3529955 4697146 5658495 3786017 4621531 5855805 5301270 4545508 6037956 1870447 4303225 2666510 5740999 3073713 4742464 6328487 3472045 succinate semialdehyde 2770 1028 1830 4431 1765 8737 1778 2032 1405 2700 2309 1121 2847 819 1160 1645 1359 532 1158 971 997 1015 2039 2513 950 831 2786 2363 686 877 1886 3619 1703 1451 1111 1170 1473 1324 4527 1429 1231 2330 1007 2035 3611 1530 1706 3046 1433 1629 933 1376 1740 3226 5513 2102 2272 3482 742 1035 1764 1996 1331 1536 1794 1686 1544 1288 2155 771 1237 1250 1623 2039 971 1298 1711 837 1407 1838 1863 658 883 2778 2982 1850 5306 750 994 1271 2466 2742 1105 1926 1297 2282 2297 1039 1093 2770 1712 2672 2011 1614 641 1547 1071 1167 1670 3766 2460 1264 1130 1081 1291 1516 961 1470 1750 1418 748 637 2047 1791 825 1851 2683 864 1378 3292 779 1918 1969 2750 816 1004 1748 1271 2515 833 837 686 1063 663 1825 1225 2222 1913 11249 sucrose 780 178 874 1457 560 360 198 120426 839 1036 1049 189 998 1280 1045 1022 299 265 349 247 418 458 400 455 223 374 2012 190 509 173 726 358 414743 829 565 178 572 552 1124 415 816 5168 765 277 1130 759 525 1546 1275 2404 458 2249 828 794 327 693 125 787 523 454 283 574 651 1400 478 2172 56 1685 45 363 506 418 2194 1319 1028 577 331 636 679 450 6738 296 125 560 1716 1068 991 675 437 749 880 1397 487 194 979 759 625 696 218 11433 1511 932 2784 463 350 834 955 3703 6841 3122 829 967 470 909 1329 306 1200 24064 1403 526 811 402 351 1192 1069 576 943 1237 535 576 406 848 708 572 432 764 413 219 385 851 600 624 861 603 314 816 1106 100 5729 tagatose 494 192 717 981 402 515 181 274 497 228 346 272 348 238 227 173 207 106 214 87 166 100 333 200 207 73 455 271 240 274 848 625 309 602 458 939 529 297 866 293 113 612 245 660 1060 378 412 278 381 706 391 310 267 196 479 347 146 628 774 319 608 478 213 545 311 1015 606 327 227 106 505 298 66 551 314 312 196 568 275 506 275 220 162 1022 756 237 245 269 216 400 390 946 323 443 610 481 211 194 133 675 533 178 795 399 78 578 210 272 425 358 195 2050 203 147 286 345 973 585 218 485 505 193 297 373 155 1095 340 303 183 667 206 383 313 445 334 256 479 639 238 361 344 599 858 139 252 669 356 140 942 tartaric acid 1329 550 462 1318 250 3087 117 640 267 321 232 330 861 268 72 152 173 55 1322 280 44 188 217 659 164 150 592 236 398 217 1933 1017 6557 431 291 556 976 1787 2903 156 248 1979 265 168 1041 371 493 122 245 1080 316 269 295 130 447 221 162 1096 51 333 325 380 423 305 332 1031 897 41 304 119 854 352 159 704 326 197 336 1210 263 440 245 102 190 284 643 635 355 476 444 125 1472 1392 551 2682 460 499 698 309 1128 1040 536 466 719 586 194 257 317 208 645 335 389 852 273 194 442 286 389 2172 278 467 1643 139 95 523 305 129 500 380 469 384 786 833 289 563 403 508 97 533 266 737 236 125 284 127 137 562 198 89 695 threitol 196 185 725 511 227 317 196 803 266 253 365 99 170 522 638 174 180 21 189 156 217 77 269 217 144 168 396 189 221 46 620 346 376 383 186 330 793 174 72 1912 154 350 211 535 161 332 311 90 184 401 430 171 322 53 1451 232 76 279 2421 118 236 892 176 1037 2342 5754 284 149 244 33 433 234 114 479 232 305 194 1700 138 287 402 1866 168 73 260 229 155 376 117 161 451 242 524 9839 234 145 265 119 193 152 908 149 400 297 58 5420 25638 296 316 322 418 8074 122 1648 448 499 451 306 253 321 3930 170 412 201 171 282 78 193 182 295 307 55 682 112417 311 38 154 741 725 126 397 5236 594 139 166 220 19013 97 247 threonic acid 853 581 1125 2755 963 2541 4160 2002 1092 456 1557 736 504 732 951 346 926 248 578 740 388 393 968 472 721 790 1001 2225 711 1294 2904 2711 1504 2255 557 2458 1872 3666 2344 508 564 1399 675 627 1842 1171 1905 529 1239 1608 727 745 541 557 1078 586 644 1869 436 453 635 1394 2105 870 1521 1336 2953 484 560 930 2247 492 1058 1489 1001 960 545 1975 457 1305 1176 351 324 468 1017 461 1060 608 477 1466 1750 849 428 2956 4559 760 2017 473 989 1338 582 1469 1787 846 516 5215 13920 756 1436 961 825 2725 682 3140 1362 589 1614 2989 1020 486 989 1124 602 859 1194 744 970 399 624 1440 4119 3665 917 605 1333 1954 358 699 712 337 231 334 364 409 326 1007 1059 281 1408 threonine 20048 8754 36635 14340 6244 11242 31770 25000 7095 5920 4319 17520 3468 33397 11386 3676 30334 34398 9808 30939 16165 1897 12929 4244 9010 6952 6037 10604 6653 3224 9709 5106 5343 23147 14452 13299 6241 2986 12931 7030 5454 17567 5862 4331 19283 7916 16421 3703 5839 4799 28922 8799 7309 4361 3841 13182 9006 20964 16759 15346 13709 8257 7170 5184 42990 6735 31949 29046 9017 603 16065 7923 32814 6369 8197 22737 7701 9375 5914 9986 2244 22063 5463 8685 16683 7558 8847 35438 4564 22529 5830 11942 4586 9015 14793 27370 9446 9973 52883 21439 9387 15201 11637 20122 868 70839 7854 18329 10886 3523 1298 13821 5295 3137 11538 7937 19530 20105 8442 31461 21578 10155 24873 10786 4228 28424 19630 5543 6829 8713 6044 16546 25111 15308 5198 4818 8133 8087 12034 10085 7787 50044 2570 8721 4037 47470 5503 4686 16426 thymidine 1516 726 7046 3300 4029 1888 1031 1976 447 1372 1345 1842 1025 686 1475 1436 839 4340 605 6520 3451 1246 828 1660 663 906 1477 1376 936 1253 1664 1269 847 4948 3121 1079 1009 931 1026 992 618 715 1783 2398 906 1282 2476 1511 1261 1709 761 908 4165 1229 1358 1297 952 1701 520 1146 1676 3414 1632 764 1807 1506 817 577 1336 357 1162 394 461 649 1720 1689 1510 623 1839 1858 1682 187 985 1297 716 1165 662 1246 1134 1607 1406 1265 924 1166 935 1478 969 807 905 1190 2602 2535 846 1447 450 931 575 854 1490 1486 1012 699 372 800 1078 1427 799 1051 1616 3147 313 406 1614 1792 1363 2320 1831 379 735 1431 527 1580 688 966 569 429 649 713 692 334 388 1072 363 919 1429 1886 1014 1121 3258 thymine 4141 4468 14839 8177 8546 9623 10639 68233 2079 4210 3888 28812 3873 4618 15770 3547 7333 29736 18156 25592 13552 2253 7379 4643 4141 14199 5900 15149 18184 5131 8164 9787 3370 28620 12275 5498 10498 10122 6019 14515 1525 3490 7620 3642 10294 10905 5472 4031 2899 11594 15027 4425 9144 6366 2125 10374 2925 6860 3797 22773 40035 5604 3507 5617 32182 5319 2684 2504 13394 735 6537 3801 8082 2245 4013 62020 4413 4537 18167 6356 5268 11021 2192 5013 3970 67768 6990 10397 39344 6219 4159 5373 11368 12519 8652 7313 11341 3763 18682 8384 4136 7148 4863 32883 13107 31211 1581 4884 6188 7162 3319 5433 2265 4886 3354 5017 26141 10653 11589 5724 4107 3169 4567 14356 5835 8598 7052 28462 10824 8573 7981 11465 20836 6861 5443 10483 42704 12057 14886 4124 7981 42995 2808 2275 1787 15898 20393 3655 13822 tocopherol acetate 1291 557 3942 10464 1117 2457 937 799 257 2122 610 546 1099 4718 350 682 2165 9126 1128 34051 970 8771 1382 1031 1484 5901 1366 944 137 339 1593 1670 539 1805 6899 1163 6298 4536 3151 7347 1017 1848 16472 97296 14800 22250 1528 9324 39172 17489 201 7445 867 473 1213 7948 1036 1217 147 700 503 2597 10569 602 914 1849 369 5362 5907 7829 5862 4954 10910 52687 1034 312 5350 289 627 1250 4474 2798 533 5841 6653 4528 9811 5074 5940 1776 165323 5045 15317 12226 4046 2038 33242 6037 974 250 1096 890 416 676 469 30 1481 10061 503 912 352 202 1235 723 5911 285 5965 5596 4557 2207 4205 2139 1134 2092 20200 5381 1715 346 576 1493 58 516 804 16096 287 3635 276 5387 7769 5011 1163 4617 5844 2841 2664 723 1255 6900 882 trans-4-hydroxyproline 875 240 1543 3646 985 953 583 1274 581 638 1064 482 630 5644 2262 509 609 409 1360 438 1504 390 1103 549 170 616 776 963 3804 702 976 1703 523 1417 827 706 638 2290 7069 1121 326 12912 896 595 1608 1290 1053 1299 1039 2098 1838 1653 529 1158 284 656 266 4234 6398 436 1201 2463 1549 829 2112 2743 2371 710 471 359 3462 373 458 615 891 424 206 1163 631 819 657 2249 288 724 1379 1798 6153 3263 753 694 602 2089 1750 4024 990 5715 1054 10683 995 5047 401 1754 660 938 911 21031 739 2458 1051 1920 232 55094 2100 440 843 749 5593 5327 1224 488 7942 412 628 3223 755 1683 2780 507 1339 1355 1030 3814 2154 1271 369 3646 3007 7838 1394 880 624 57448 695 1622 209 3742 9928 605 6694 trehalose 1173 555 2067 4058 3216 2065 384 2402 13897 4008 5318 1367 4009 5343 2718 940 1912 699 3665 4780 707 785 586 1170 2862 2970 4548 2491 811 1569 3230 16914 1455 4811 8790 41789 1412 9145 17790 534 778 46345 2919 343 254153 3231 1653 7511 652 324408 86240 1376 1219 1219 1288 911 3293 7975 134561 40116 1835 872 2202 970 2788 7077 6197 230753 3482 3797 25524 22819 123642 3566 2934 2322 2643 6661 1633 4088 45554 10128 1002 17583 82849 2018 135375 43766 2182 2092 248556 8444 7368 45436 81600 13079 3817 50692 3069 11244 5194 8348 49997 1305 70887 7644 15101 15907 57365 2305 1990 21017 3989 1691 19940 1801 62908 21223 1673 10777 2600 2682 1150 20662 1811 34504 48980 210924 893 1815 1275 1196 2520 68511 921 20107 1343 2307 5026 35448 3275 5684 1271 8351 1442 1459 31753 1891 1481 tyrosine 80708 39641 318135 166465 49212 127854 132157 233725 85428 43738 37376 198207 22507 357538 314139 27221 167029 157581 110291 174876 86134 22797 124262 47195 78938 78077 53941 70903 440787 26032 96316 61821 56528 113828 117724 175707 70661 25444 157605 121164 25384 174921 53255 32887 204001 90341 128881 27778 37268 100058 167643 102316 50844 46618 34758 126867 52938 230776 96751 72171 151950 75671 76676 42235 158225 140032 81653 295915 30912 16402 116131 54781 182465 54683 42395 178818 42236 162972 109891 80288 17231 460442 258561 74590 415985 117691 112577 295595 90802 186516 34754 414566 136643 172987 85982 487484 107134 125473 298599 132211 77946 123314 275917 205512 54464 386736 19219 173350 245910 29937 3189 156696 35450 26266 82283 89899 306873 309238 89304 222981 453506 91711 158169 202316 47672 269809 166992 129741 71684 63326 30169 118758 230000 140206 67881 23804 164970 151047 125210 88009 98581 435729 20498 1246713 53612 417625 70973 41904 197105 tyrosol 3035 614 7763 4478 1906 3497 867 1776 2911 2420 1075 1564 746 905 1505 1236 4186 968 817 1601 1420 644 2031 1289 2021 1235 14845 761 1613 2115 8435 2364 6339 1172 1871 1316 2504 1904 2005 656 2076 4203 1794 1499 4515 765 4561 1568 728 2502 1124 3966 2413 2602 3203 730 536 4529 9237 2098 3043 3540 2130 1219 968 2254 16721 1554 2476 1260 11133 1333 2874 2414 828 3677 1527 10847 3057 3527 5243 5003 10887 1876 2154 4175 3462 1161 2957 2942 963 4573 2059 3196 2748 10064 3339 1068 567 4236 4945 2501 4254 2510 1338 3466 280 5910 4931 1670 2323 1046 2015 1155 8672 1453 1187 6869 1679 1946 1988 1556 5703 2073 1624 4365 2889 4092 1329 2146 2743 5158 4969 1648 1797 16611 1847 1826 3461 977 1391 787 1419 1073 3857 978 4930 2295 3390 UDP-glucuronic acid 1880 145 2483 1746 4128 4261 666 251 1591 585 2644 5071 2227 806 19309 779 929 4030 324 1376 884 380 332 511 3003 619 7627 404 5883 657 213696 1667 2980 1201 20873 749 13832 718 2808 160 5280 14940 619 896 519 276 2976 674 739 565 746 2853 526 303 2942 1130 241 987 110202 6850 6479 451 2428 1063 387 80052 1387 489696 4484 203 3872 1970 21562 23140 765 1646 268 91970 3256 1632 8500 136936 771 2766 19568 2242 2011 3301 1036 534 6821 8094 1450 1780 1113 14032 766 3427 2334 1383 1382 114 2433 643 1864 45435 1369 8336 2709 1073 1342 3140 3006 817 4874 638 96803 2806 1399 80912 2635 1900 1386 1756 549 1500 919 69196 923 1608 24454 26901 706 981 41768 3106 13858 44722 1222 13939 64469 577 47184 2107 1782 22258 7762 1479 32747 uracil 19046 11966 34130 33503 27728 29121 76677 78723 6118 13380 10362 34811 9511 16866 58883 7415 24371 32018 22173 27450 45161 5351 21479 12754 14662 16515 18339 58998 77532 13313 20933 33798 10241 46391 26588 15496 23397 25278 13820 19321 6904 6024 22392 13842 40564 20864 17848 12687 9769 42695 53043 12117 30467 14076 4561 21229 17408 30694 18005 31995 49806 14037 15746 9769 41953 40378 15664 7939 18874 2395 21057 7912 23908 8580 12425 40443 17580 32294 17826 20399 18741 65996 6599 19148 17516 166725 23872 37986 151679 27425 13396 12775 31651 72810 34899 34034 22888 18056 30067 40909 11725 37913 13434 59104 6071 120854 14291 31454 33358 6827 12704 6731 16591 3708 17449 24432 123848 40680 40848 25209 30353 10778 16465 67543 16709 46687 18192 42110 23867 22356 60494 50988 79167 7617 16193 50760 103646 54126 37140 8578 37203 135178 22564 23356 5447 73325 87932 12218 38567 urea 54465 27805 47971 46501 27113 31069 27262 20550 32103 30500 35381 18392 39325 22387 65132 22975 35807 20290 20772 29595 18172 29143 28533 19555 18493 25578 60014 19983 23230 29450 45315 48437 43760 52577 23709 41238 19757 27139 64154 21663 35937 57332 42287 29369 85660 44427 37292 33779 26631 35539 22442 22061 49151 27846 27879 21692 25435 60099 27635 25475 40142 42355 27280 34663 64646 36827 36125 41670 30305 29146 45755 14862 34947 34822 33188 23874 20821 18519 17515 37930 39682 8690 28316 27099 77299 81624 31260 19642 21201 18658 27824 14555 14282 22889 15170 19050 33338 19306 19261 23917 30716 19786 26602 10485 13151 11560 877 58928 24529 26081 821 46438 6109 17021 10457 12303 22854 16255 22158 50558 55862 14554 64119 53258 13179 57705 58841 46598 22517 40229 49515 43461 47209 130707 40330 49569 23410 49677 41742 54432 37487 12083 35638 25862 6799 46700 86483 28101 69786 uric acid 6539 4058 28909 14335 4604 3466 9328 30899 432 1346 2021 29564 3150 348 57596 1581 8851 16591 17169 6366 3313 688 6904 6075 896 9589 1785 7000 2638 2870 2131 9458 2023 24560 3549 7005 1614 6689 5689 15675 2966 3680 11246 4675 784 14900 2419 2450 2370 9108 4286 5799 4666 8221 2069 6764 1673 13011 34414 16676 47916 4973 4289 6030 27063 81359 581 15237 10060 342 2093 1356 8972 2018 1136 59467 928 550 16485 1847 2928 1583 932 4593 7065 10434 7856 4384 18312 8500 7065 1830 16974 78333 3350 4090 13255 6979 11934 1244 6973 19044 10223 23315 11027 11585 33704 15148 4600 8158 3449 438 1486 3454 1821 4042 1049 6550 12746 7340 1393 290 10437 7873 1043 7426 9409 9712 6121 13464 504 5348 16434 1796 1873 2725 12341 3669 9724 3145 2876 15501 572 951 903 11814 153930 3319 7343 uridine 1113 543 4990 2538 1402 749 434 725 441 2701 1051 1667 962 900 4917 499 1177 1157 553 822 1571 457 1158 666 491 731 589 528 915 890 1814 1695 563 3615 907 1124 1235 865 781 1290 519 365 450 1857 738 737 3215 935 1093 1106 403 1463 1707 584 1136 494 526 2940 1347 856 887 1395 2152 1280 1768 2608 809 1209 502 1082 1078 488 387 957 888 462 772 141 695 974 1386 463 1367 1241 390 1295 972 907 1842 2317 1754 1033 1377 2287 979 2131 632 1579 958 1788 1570 4415 1121 873 216 859 599 465 1902 1725 525 1258 361 503 494 1342 527 783 2685 1525 1271 433 2193 1234 379 8204 3751 300 947 1342 718 2182 660 187 2220 558 1289 523 602 1313 656 1640 1233 708 668 2742 4644 678 3073 vanillic acid 626 593 491 1948 318 402 361 596 475 388 745 201 453 831 669 253 880 165 287 550 209 635 1382 414 266 335 1179 302 3406 159 3581 165 1485 1349 622 490 1048 269 1795 184 753 855 416 567 1325 2434 288 185 1686 586 325 335 424 151 411 162 234 254 2497 346 283 270 289 322 501 1184 529 786 298 267 529 217 242 812 294 249 185 1099 283 592 1121 364 310 176 4187 4068 226 1249 1390 463 532 2070 485 1133 549 268 367 545 246 689 930 972 1690 557 225 1233 1202 2322 703 567 1070 351 243 1026 843 1233 765 1033 427 623 466 247 368 353 835 404 285 501 273 543 156 808 357 919 292 831 284 2036 249 1682 184 746 215 260 205 382 2389 169 393 xanthine 5315 2328 17975 10617 22072 7090 14841 29380 1238 1601 4024 14301 1298 4187 30396 1750 16200 13741 3964 12917 20688 2019 7242 2707 1484 4424 2244 27284 15281 2403 4034 4508 1980 9807 11077 2596 859 6524 3132 2468 4101 1161 4130 6739 1027 6169 4469 6012 4999 1093 22980 5186 11330 3211 2350 9361 5538 480 7500 9364 6582 10187 6146 5165 10181 8454 3454 526 4122 438 5617 1679 1205 2322 2876 5192 1544 4270 2594 5001 5930 15421 2360 3747 1360 13231 1423 13432 4707 1889 686 3077 11782 9973 6881 8369 3533 994 7318 6758 2615 12260 4838 17534 1196 62545 1397 4159 6093 1417 1697 1171 5918 645 1821 6863 17268 12356 8913 14299 3766 2132 9604 15766 4809 17341 7559 19849 1131 2632 4657 13718 34496 89 4393 6751 34250 20954 16843 2686 12372 56416 1492 8751 3073 10308 12562 4999 16024 xanthosine 237 96 1389 606 965 878 448 637 293 90 434 575 204 171 1371 232 492 249 218 361 278 110 332 178 236 219 474 171 129 367 709 1002 464 1686 328 483 415 657 830 604 130 162 1051 226 596 490 842 202 379 1218 481 355 297 150 255 371 234 720 203 340 650 697 592 82 324 427 609 437 157 55 641 83 360 323 83 283 155 279 103 519 841 71 127 328 292 299 322 2099 233 870 580 273 798 1357 691 971 355 494 182 728 562 729 589 350 126 214 372 234 420 424 222 350 287 242 700 598 515 1177 1350 521 492 203 539 781 679 784 728 226 250 498 157 908 1081 287 521 132 492 2288 601 285 277 1165 156 174 163 1322 479 345 849 xylose 27605 14876 37289 19632 77914 70701 64032 21306 48244 5856 39724 14452 7517 13973 9786 4094 12943 11283 5876 5226 6720 11479 29694 8828 2392 12619 67227 24442 9830 13174 123187 54683 57641 60813 22513 49374 71911 186218 78452 12488 8263 39782 5814 38168 13612 25741 31570 71075 27954 10020 234637 61389 7167 9770 14670 13231 22470 23657 38345 17619 8513 18062 92006 29038 7589 17853 110878 41212 5494 5104 103644 2382 24522 14013 7150 15321 10136 105518 5139 25702 18555 12833 27653 15635 23346 35364 11845 54979 29090 27785 57142 27085 25674 28418 165360 41756 62144 41942 8384 17092 8958 27686 12122 29189 5799 33205 55789 20085 41434 7966 140477 24122 76683 7313 256216 41732 50747 406272 43466 15291 206500 53632 10281 28544 35850 380260 21329 11062 7722 16126 81864 189951 96600 60675 66734 53003 22026 110012 33712 70463 8279 62330 7453 20725 19446 15095 9895 18206 23633 xylulose 2015 958 4631 3697 4855 5357 4452 1756 1597 435 2188 887 1545 1244 1154 287 2205 840 753 736 279 539 2726 1158 1142 1625 4734 2375 671 2172 3429 5312 2286 5237 965 1766 1237 3830 4926 786 710 1467 1722 1294 3707 5721 2243 382 1964 2544 2303 1260 1257 771 1097 1314 1696 3993 966 796 1684 1948 3336 568 918 2101 3123 2194 563 191 4775 560 1004 582 2771 717 1237 845 466 2465 5409 219 296 513 3380 888 2480 2429 1039 3318 4695 1700 769 4978 9418 998 3614 973 791 1485 2636 3459 3036 2611 812 2344 4009 4397 4741 2575 2035 1952 3133 1290 30292 3940 1167 23118 2854 1620 2290 1844 1113 1343 953 2527 1107 125 1171 1660 916 1112 1522 3803 1587 412 618 2169 353 1376 472 1627 999 537 439 2319 2205 492 3483 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG pubchem ret ind m/z 1-hexadecanol C00823 2682 679596 299 1-kestose C03661 440080 1123027 361 1-monoolein No result 5283468 952623 129 1-monopalmitin No result 14900 901749 371 1-monostearin D01947 24699 959214 203 1,2,4-benzenetriol C02814 10787 521803 239 2-aminobutyric acid No result 517460 285825 130 2-aminophenol C01987 5801 438445 150 2-deoxypentitol No result 249377 521785 231 2-hydroxyglutaric acid C02630 43 506306 247 2-hydroxyvaleric acid No result 98009 309587 131 2-ketoadipic acid C00322 71 324048 89 2-ketoisocaproic acid C00233 70 310761 89 2-methylglutaric acid No result 12284 427677 172 2-monoolein No result 5319879 941794 129 2,3-dihydroxypyridine No result 28115 373895 240 2,4-diaminobutyric acid C03283 134490 570766 174 2,6-diaminopimelic acid No result 53448507 686035 200 3-(3-hydroxyphenyl)-3-hydroxypropionic acid No result 102959 632357 267 3-(4-hydroxyphenyl)propionic acid C01744 10394 598147 179 3-aminoisobutyric acid C05145 25201103 309837 102 3-hydroxy-3-methylglutaric acid C03761 1662 521554 247 3-hydroxybutyric acid C01089 92135 278632 191 3-hydroxypalmitic acid No result 15569776 774930 233 3-hydroxyphenylacetic acid C05593 12122 527648 164 3-phenyllactic acid No result 3848 516011 193 3,4-dihydroxybenzoic acid C00230 72 620200 193 3,4-dihydroxycinnamic acid C01197 689043 748847 219 3,4-dihydroxyhydrocinnamic acid C10447 348154 673176 179 3,4-dihydroxyphenylacetic acid C01161 547 625046 179 3,6-anhydro-D-galactose C06474 16069996 588886 231 4-aminobenzoic acid C00568 7057990 630439 266 4-aminobutyric acid C00334 119 488730 304 4-hydroxybenzoic acid C00156 135 537290 267 4-hydroxybutyric acid C00989 10413 325027 233 4-hydroxyphenylacetic acid C00642 127 542795 179 4-methylcatechol C06730 9958 416586 268 4-pyridoxic acid C00847 6723 673225 309 5-aminovaleric acid C00431 138 536657 174 5-hydroxymethyl-2-furoic acid C20448 80642 497561 123 5-methoxytryptamine C05659 1833 864466 174 6-deoxyglucose C08352 441480 573663 117 6-hydroxynicotinic acid C01020 72924 510614 268 adenine C00147 190 646534 264 adenosine-5-monophosphate C00020 6083 1038688 169 adipic acid C06104 196 474435 111 alanine-alanine No result 5484352 522546 116 alloxanoic acid No result 94146 785329 331 alpha-aminoadipic acid C00956 59066632 573295 260 alpha-ketoglutarate C00026 51 507392 198 alpha-tocopherol C00376 638015 1067809 237 aminomalonate C00872 100714 455754 218 aniline C00292 6115 310488 150 arachidic acid C06425 10467 856421 117 arachidonic acid C00219 444899 837115 91 asparagine C00152 6267 553743 231 aspartic acid C00049 44367445 480387 232 azelaic acid C08261 19347555 610551 317 benzoic acid C00180 20144841 339067 179 beta-alanine C00099 239 435564 248 beta-gentiobiose C08240 441422 965404 160 beta-glutamic acid C05574 73064 525547 232 beta-sitosterol C01753 222284 1128225 129 beta-tocopherol C14152 8989 1022815 223 biphenyl C06588 7095 426625 154 butane-2,3-diol No result 262 205778 117 butylamine No result 8007 249493 174 capric acid C01571 2969 452386 229 caprylic acid C06423 379 343457 201 cellobiose No result 294 932179 204 cerotinic acid No result 10469 1033286 145 cholesterol C00187 5997 1078536 129 cis-gondoic acid C16526 5282768 847372 367 citramalic acid C00815 1081 456203 247 citric acid C00158 19782904 617342 273 cysteine C00097 5862 500158 220 cystine C01420 24798687 804619 218 cytosin C00380 597 486724 254 D-erythro-sphingosine C00319 5280335 859500 204 dehydrocholesterol C01164 439423 1067216 129 delta-tocopherol C14151 92094 997765 208 dihydro-3-coumaric acid C11457 91 582960 192 dihydrocholesterol C12978 66066 1082070 215 docosahexaenoic acid C06429 445580 902819 91 dodecanol C02277 8193 507619 243 enolpyruvate C00074 1005 234394 217 enterolactone C18165 114739 985432 180 epicatechin C09727 72276 979335 368 epsilon-caprolactam C06593 7768 353069 170 ferulic acid C01494 445858 732779 338 fructose C02336 439709 639442 307 fructose-6-phosphate C05345 440641 804279 315 fucose C02095 439650 578299 160 fumaric acid C00122 21883788 392338 245 galactinol No result 11727586 1048207 204 galactose-6-phosphate C01113 439404 828102 387 galacturonic acid C08348 441476 669400 333 gamma-tocopherol C02483 92729 1026121 223 gluconic acid C00800 6857417 693148 333 glucose C00221 64689 659798 319 glucose-6-phosphate C00092 5958 818275 387 glutamic acid C00025 33032 529100 246 glutamine C00064 5961 600000 156 glutaric acid C00489 23322899 421596 261 glyceric acid C00258 439194 377495 189 glycerol C00116 753 344466 205 glycerol-alpha-phosphate C03189 754 590747 357 glycolic acid C00160 3698251 227636 177 glycyl-proline No result 3013625 691662 174 guanidinosuccinate C03139 439918 557299 328 guanine C00242 764 744307 352 heptadecanoic acid No result 10465 751309 117 hexadecylglycerol C13859 72733 867593 205 hexuronic acid No result 152867 667373 160 homocystine C01817 10010 874865 128 homoserine C00263 12647 443878 218 hydroxycarbamate No result No result 325318 278 hydroxylamine C00192 787 253158 146 indole-3-acetate C00954 802 684929 202 indole-3-propionic acid No result 3744 732249 202 inositol-4-monophosphate No result 440043 846510 315 isoheptadecanoic acid No result 164860 737927 117 isoleucine C00407 6306 361332 158 isolinoleic acid No result 5312483 794629 156 isopentadecanoic acid No result 151014 663518 117 isopropylbenzene C14396 7406 240619 105 isothreonic acid No result 151152 489385 292 ketohexose No result 90008 627414 307 lactic acid C01432 19789253 217657 191 lactose No result 84571 935458 191 lanosterol C01724 246983 1129573 393 lauric acid C02679 3893 547906 117 leucine C00123 6106 346101 158 levoglucosan No result 2724705 569637 204 linoleic acid C01595 5280450 777414 150 linolenic acid C06427 5280934 780376 108 lysine C00047 5962 663483 317 maleic acid C01384 444266 363611 245 maleimide C07272 10935 245118 154 malic acid C00711 20130941 463180 233 malonic acid C00383 23511544 305372 233 maltose C00208 439186 946601 204 maltotriose C01835 439586 1176044 361 mannonic acid C00514 3246006 689527 333 methylmaleic acid C02226 643798 418804 259 mucic acid C00879 3037582 709842 333 myo-inositol No result 892 730022 305 myristic acid C06424 11005 634414 285 N-acetyl-D-galactosamine C05021 440552 720730 319 N-acetyl-d-hexosamine C03878 24139 746341 319 N-acetyl-D-mannosamine C00645 439281 726375 319 N-acetylaspartic acid C01042 65065 548028 158 N-acetylglutamate C00624 70914 604748 216 N-acetylornithine C00437 439232 682693 174 N-acetylputrescine C02714 122356 577897 174 nicotianamine C05324 49852318 898928 186 nicotinic acid C00253 938 366992 180 nonadecenoic acid No result 5312512 819314 117 norvaline C01826 65098 326715 144 O-acetylserine C00979 6971051 414914 174 octadecanol D01924 8221 755409 327 octadecylglycerol C13858 3681 928878 205 oleic acid C00712 445639 781527 339 ornithine C00077 6262 619548 142 orotic acid C00295 967 586317 254 palmitic acid C00249 985 713809 313 pelargonic acid C01601 8158 398892 215 pentadecanoic acid C16537 13849 674647 117 pentose No result 229 540818 103 phenol C00146 20488062 218927 151 phenylacetic acid C07086 999 368081 164 phenylethylamine C05332 1001 513300 174 phosphate C00009 1004 345365 314 phosphoethanolamine C00346 1015 603912 299 phytanic acid No result 10380830 770604 159 phytol C01389 5280435 761712 143 phytosphingosine C12144 122121 910976 204 pimelic acid C02656 385 523205 155 piperidone No result 12665 275603 156 pseudouridine C02067 15047 813899 217 pyruvic acid C00022 1060 213805 174 quinic acid No result 6508 632897 345 raffinose C00492 439242 1120886 361 ribose C00121 5779 553135 217 saccharopine C00449 160556 858549 357 salicylic acid C00805 338 480699 267 secoisolariciresinol C18167 65373 1018839 209 shikimic acid C00493 8742 611100 204 sophorose C08250 441432 962064 307 sorbitol C00794 5780 667922 217 spermidine C00315 1102 792924 144 stearic acid C01530 5281 787622 117 succinate semialdehyde C00232 1112 297024 113 sucrose C00089 5988 912704 271 tagatose C00795 439312 629499 307 tartaric acid C00898 444305 534291 292 threitol C16884 169019 467595 217 threonic acid C01620 5460407 497572 292 threonine C00188 6288 409568 218 thymidine C00214 5789 349402 170 thymine C00178 1135 420133 255 tocopherol acetate C13202 86472 1081080 164 trans-4-hydroxyproline C01157 5810 460662 158 trehalose C01083 7427 948197 191 tyrosine C00082 6057 671252 218 tyrosol C06044 10393 510842 179 UDP-glucuronic acid C00167 17473 585473 217 uracil C00106 1174 385816 241 urea C00086 1176 328888 189 uric acid C00366 1175 730691 441 uridine C00299 6029 856709 224 vanillic acid C06672 8468 597845 297 xanthine C00385 1188 701688 353 xanthosine C01762 64959 926133 325 xylose C00181 135191 543267 103 xylulose C00312 439205 553450 173 METABOLITES_END #END