#METABOLOMICS WORKBENCH jfolz_20211221_103237 DATATRACK_ID:2996 STUDY_ID:ST002025 ANALYSIS_ID:AN003295 PROJECT_ID:PR001287 VERSION 1 CREATED_ON December 22, 2021, 11:47 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 (Serum/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-01550847 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa46_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01562406 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01573894 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01583300 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa20_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01586081 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa41_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01588531 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa23_1.cdf SUBJECT_SAMPLE_FACTORS - 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RS-01906153 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01909499 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa35_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01910366 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01912433 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01915351 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01915825 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01916371 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01919083 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa19_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01920219 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa37_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01922845 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01922997 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01923360 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa21_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01923647 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa25_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01925071 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01927999 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01931721 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01933106 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01933496 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa40_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01936986 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01937683 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa28_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01940412 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa14_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01943090 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa25_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01945211 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190709bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01946271 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa21_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01948560 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01950684 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01952666 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01955354 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa32_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01955980 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01956466 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa12_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01965935 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01971049 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa06_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01975204 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa20_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01975582 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa40_1.cdf SUBJECT_SAMPLE_FACTORS - RS-01975659 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa21_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02017643 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa12_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02019510 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02020293 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa36_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02022737 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa22_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02023824 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa14_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02024202 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa26_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02027065 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa23_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02029507 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02037282 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa20_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02037571 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa44_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02040155 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa14_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02041308 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02045370 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02046599 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02047137 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02049971 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa32_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02051836 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02052504 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02055157 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02055215 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa37_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02057574 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02060161 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02061501 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02061579 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02062802 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02080484 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa19_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02080521 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02082111 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02088574 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa40_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02089132 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa20_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02091843 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa11_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02095379 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa03_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02096722 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa44_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02096868 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa44_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02099604 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa04_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02099922 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa27_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02101117 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa26_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02107455 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02108617 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa26_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02108921 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa06_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02116664 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02118840 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02119140 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa34_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02124349 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02126796 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa19_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02127671 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02128352 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa24_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02129862 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa04_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02135566 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02136451 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa03_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02136527 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02137274 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa50_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02138650 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa28_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02139721 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02142009 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02145607 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02146133 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02152009 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa23_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02152490 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02153108 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa11_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02155235 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa27_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02156423 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa47_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02159492 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa13_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02162522 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02163042 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa32_2.cdf SUBJECT_SAMPLE_FACTORS - RS-02165754 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa43_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02166761 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa45_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02167382 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02168982 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa35_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02169817 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa23_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02171890 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02173280 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02173508 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa41_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02173913 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa02_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02174609 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02174862 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02176958 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02177759 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa43_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02179400 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa27_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02180401 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa37_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02184819 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02185095 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa04_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02186113 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02186657 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa47_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02189574 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa26_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02193435 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02198195 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa29_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02199138 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02203857 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02206320 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa35_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02207686 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa11_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02208390 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa12_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02209031 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02209976 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02210732 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02214180 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa16_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02217645 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02217950 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa01_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02219013 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa25_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02220128 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa04_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02221362 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa35_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02224681 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa19_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02227990 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa14_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02232898 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02243107 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa41_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02243892 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa34_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02245652 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa02_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02248429 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02254799 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa46_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02258363 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa43_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02260362 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa26_2.cdf SUBJECT_SAMPLE_FACTORS - RS-02265353 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02267272 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02269206 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa48_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02275936 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa21_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02276192 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa43_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02278109 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02280076 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02281203 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa45_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02282576 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa37_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02283180 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa11_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02284594 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa32_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02284929 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02286525 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa50_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02290552 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa36_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02294711 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa02_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02295677 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02298863 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa49_2.cdf SUBJECT_SAMPLE_FACTORS - RS-02299274 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa30_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02306766 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02306884 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa38_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02309618 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02309836 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa09_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02317073 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa10_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02325634 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa31_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02328813 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa01_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02331215 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02336876 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa03_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02342102 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa46_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02342624 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa47_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02343648 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa24_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02345931 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa27_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02348427 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa49_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02348475 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa24_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02349202 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa18_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02349825 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02353557 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa36_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02353973 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa07_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02505087 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa08_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02583622 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa25_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02613837 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa06_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02620835 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa37_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02621406 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa11_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02622790 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa38_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02625987 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa39_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02636604 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa38_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02637671 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa20_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02667585 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa35_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02672335 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa42_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02673059 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa15_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02674499 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa34_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02681304 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa45_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02686740 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa22_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02710755 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190710bJWsa47_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02721185 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa02_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02721339 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa29_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02724209 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190713bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02729762 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190715bJWsa23_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02731725 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190717bJWsa05_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02734075 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa02_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02734836 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa25_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02744983 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190711bJWsa32_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02750161 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190714bJWsa33_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02755964 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190716bJWsa17_1.cdf SUBJECT_SAMPLE_FACTORS - RS-02756003 Treatment (pre-post):Pre-intervention RAW_FILE_NAME=190712bJWsa09_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 Blood (serum) #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 Sample preparation of blood plasma or serum samples for CSH, HILIC and GC SP:SAMPLEPREP_SUMMARY analysis Purpose: This SOP describes sample extraction and preparation of blood SP:SAMPLEPREP_SUMMARY plasma or serum for lipid profiling on the CSH, and HILIC platform by liquid SP:SAMPLEPREP_SUMMARY chromatography/ mass spectrometry (LC-MS) as well as primary metabolomics SP:SAMPLEPREP_SUMMARY platform on GC/MS. This method is to be used when there is low sample volume for SP:SAMPLEPREP_SUMMARY separate extractions, and when more than one platform is to be used in a SP:SAMPLEPREP_SUMMARY project. References: Matyash V, Liebisch G, Kurzchalia TV, Shevchenko A and SP:SAMPLEPREP_SUMMARY Schwudke D (2008) Lipid extraction by methyl-tert-butyl ether for SP:SAMPLEPREP_SUMMARY high-throughput lipidomics. J Lip Res 2008, 49: 1137-1146 Starting material: SP:SAMPLEPREP_SUMMARY Plasma/serum: 20 µL sample volume or aliquot Equipment: Centrifuge Eppendorf SP:SAMPLEPREP_SUMMARY 5415 D Calibrated pipettes 20-200µL and 100-1000µL Multi-Tube Vortexer (VWR SP:SAMPLEPREP_SUMMARY VX-2500) Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific SP:SAMPLEPREP_SUMMARY Instruments) Speed vacuum concentration system (Labconco Centrivap cold trap) SP:SAMPLEPREP_SUMMARY Chemicals: Product Manufacturer & Part Number Eppendorf tubes 1.5 mL, uncolored SP:SAMPLEPREP_SUMMARY Eppendorf 022363204 Eppendorf tubes 2 mL, uncolored Eppendorf 022363352 Crushed SP:SAMPLEPREP_SUMMARY ice UC Davis Water, LC/MS Grade Fisher Optima W6-4 MTBE, HPLC Grade Acros SP:SAMPLEPREP_SUMMARY Organics 389050010 Methanol, LC/MS Grade Fisher A456-4 Bioreclamation human SP:SAMPLEPREP_SUMMARY plasma (disodium EDTA) Bioreclamation HMPLEDTA Acetonitrile, HPLC Grade Fisher SP:SAMPLEPREP_SUMMARY Optima A955-4 Iso-Propanol, HPLC Grade Fisher A461-4 Sample Preparation: SP:SAMPLEPREP_SUMMARY Preparation of extraction solvent Combine 120 mL of chilled MeOH/QC mix with 400 SP:SAMPLEPREP_SUMMARY mL of chilled MTBE/Cholesterol Ester 22:1 in a clean 500 mL stock bottle. Mix SP:SAMPLEPREP_SUMMARY thoroughly by swirling or stir plate and store at -20°C until use. *See SOP SP:SAMPLEPREP_SUMMARY “QC mix for LC-MS lipid analysis” for preparation of MeOH/QC mix and SP:SAMPLEPREP_SUMMARY MTBE/Cholesterol Ester 22:1. Preparation of Clean Up solvent For 1 L of SP:SAMPLEPREP_SUMMARY extraction solvent, combine 375 mL of acetonitrile, 375 mL of isopropanol, and SP:SAMPLEPREP_SUMMARY 250 mL water in a 1 L bottle conditioned with the aforementioned chemicals. If a SP:SAMPLEPREP_SUMMARY different total volume of extraction solvent is needed, simply mix acetonitrile, SP:SAMPLEPREP_SUMMARY isopropanol, and water in volumes in proportion 3:3:2. Purge the extraction SP:SAMPLEPREP_SUMMARY solution mix for 5 min with nitrogen with small bubbles. Make sure that the SP:SAMPLEPREP_SUMMARY nitrogen line is flushed out of air before using it for degassing the extraction SP:SAMPLEPREP_SUMMARY solvent solution. Store at -20°C until use. Note: if solvent freezes, sonicate SP:SAMPLEPREP_SUMMARY until thawed and mix before use. Extraction Thaw raw samples/controls at room SP:SAMPLEPREP_SUMMARY temperature (or in the refrigerator at 4˚C) and either invert the tube or SP:SAMPLEPREP_SUMMARY vortex 10 sec at low speed to homogenize. Aliquot 20 μL of plasma sample into a SP:SAMPLEPREP_SUMMARY 1.5 mL Eppendorf tube. Keep all samples on ice. Add 975 µL ice-cold 3:10 (v/v) SP:SAMPLEPREP_SUMMARY MeOH/MTBE + QC mix/CE 22:1 extraction solvent mixture to each aliquot, keeping SP:SAMPLEPREP_SUMMARY the extraction solvent on ice during the procedure. Vortex samples for 10 SP:SAMPLEPREP_SUMMARY seconds, then shake for 5 minutes at 4°C on the orbital mixer. Add 188 µL room SP:SAMPLEPREP_SUMMARY temperature LC/MS grade water to each tube. Vortex tubes for 20 seconds and then SP:SAMPLEPREP_SUMMARY centrifuge for 2 min at 14,000 rcf. Transfer the upper organic phase to two SP:SAMPLEPREP_SUMMARY separate tubes (350 µL/each tube) for lipidomics analysis. Transfer 75 µL of SP:SAMPLEPREP_SUMMARY the remaining organic phase to a 2, 15, or 50 mL tube for pools, depending on SP:SAMPLEPREP_SUMMARY number of samples in the study. Transfer the bottom aqueous phase to two SP:SAMPLEPREP_SUMMARY separate tubes (110 µL/each tube) for HILIC/GC-TOF analysis. Dry down one tube SP:SAMPLEPREP_SUMMARY from each phase by centrivap, keeping the undried tubes as backups. Store all SP:SAMPLEPREP_SUMMARY tubes at -20˚C until ready for analysis. Clean up step for GC only (and SP:SAMPLEPREP_SUMMARY pooling) Resuspend the dried aliquot with 500 μL 3:3:2 (v/v/v) ACN:IPA:H2O SP:SAMPLEPREP_SUMMARY (degassed as given above) and vortex for about 10 sec. Centrifuge for 2 min at SP:SAMPLEPREP_SUMMARY 14000 rcf. Remove 450 uL supernatant to a clean 1.5 mL eppendorf tube. SP:SAMPLEPREP_SUMMARY Tranfering remainder to a 2, 15, 50 mL Tube, dependent on number of samples. SP:SAMPLEPREP_SUMMARY Aliquot out 1.9 mL uL of supernatant to new 2ml eppendorf tubes. Centrifuge for SP:SAMPLEPREP_SUMMARY 2 min at 14000 rcf Aliquot out 4x450 uL of supernatant into clean 1.5 mL SP:SAMPLEPREP_SUMMARY Eppendorf tubes. Evaporate to comeplete dryness in the Labconco Centruvap cold SP:SAMPLEPREP_SUMMARY trap concentrator. Submit to derivatization . Pooling (CSH platform only) SP:SAMPLEPREP_SUMMARY Transfer multiple 350 µL aliquots of pooled samples to 1.5 mL Eppendorf tubes, SP:SAMPLEPREP_SUMMARY one aliquot for every 10 samples in the study. If there is still pool remaining, SP:SAMPLEPREP_SUMMARY prepare additional aliquots for backup. Evaporate to complete dryness in the SP:SAMPLEPREP_SUMMARY Labconco Centrivap cold trap concentrator. Store all tubes at -20°C until ready SP:SAMPLEPREP_SUMMARY for analysis. Quality assurance For every 10 samples, extract a method blank (20 SP:SAMPLEPREP_SUMMARY µL of H2O) and a sample control (20 µL human Bioreclamation or analogous SP:SAMPLEPREP_SUMMARY species plasma) in addition to samples. For large studies (>100 samples), for SP:SAMPLEPREP_SUMMARY every 100 samples a NIST plasma extract should be prepared in the same manner as SP:SAMPLEPREP_SUMMARY positive controls. Disposal of waste Collect all chemicals in appropriate SP:SAMPLEPREP_SUMMARY bottles and follow the disposal rules. Collect residual plasma/serum samples in SP:SAMPLEPREP_SUMMARY specifically designed red ‘biohazard’ waste bags. Extraction of Mammalian SP:SAMPLEPREP_SUMMARY Tissue Samples: Liver 1. References: Fiehn O, Kind T (2006) Metabolite profiling SP:SAMPLEPREP_SUMMARY in blood plasma. In: Metabolomics: Methods and Protocols. Weckwerth W (ed.), SP:SAMPLEPREP_SUMMARY Humana Press, Totowa NJ (in press) 2.Starting material: Liver sample: weigh 4mg SP:SAMPLEPREP_SUMMARY per sample into 2mL Eppendorf tubes. 3. Equipment: Centrifuge (Eppendorf 5415 D) SP:SAMPLEPREP_SUMMARY Calibrated pipettes 1-200μl and 100-1000μl Eppendorf tubes 2mL, clear (Cat. SP:SAMPLEPREP_SUMMARY No. 022363204) Centrifuge tubes 50mL, polypropylene Eppendorff Tabletop SP:SAMPLEPREP_SUMMARY Centrifuge (Proteomics core Lab.) ThermoElectron Neslab RTE 740 cooling bath at SP:SAMPLEPREP_SUMMARY –20°C MiniVortexer (VWR) Orbital Mixing Chilling/Heating Plate (Torrey Pines SP:SAMPLEPREP_SUMMARY Scientific Instruments) Speed vacuum concentration system (Labconco Centrivap SP:SAMPLEPREP_SUMMARY cold trap) Turex mini homogenizer 4. Chemicals Acetonitrile, LCMS grade (JT SP:SAMPLEPREP_SUMMARY Baker; Cat. No.9829-02) Isopropanol, HPLC grade (JT Baker; Cat. No. 9095-02) SP:SAMPLEPREP_SUMMARY Methanol Acetone Crushed ice 18 MΩ pure water (Millipore) Nitrogen line with SP:SAMPLEPREP_SUMMARY pipette tip pH paper 5-10 (EMD Chem. Inc.) 5. Procedure Preparation of SP:SAMPLEPREP_SUMMARY extraction mix and material before experiment: Switch on bath to pre-cool at SP:SAMPLEPREP_SUMMARY –20°C (±2°C validity temperature range) Check pH of acetonitrile and SP:SAMPLEPREP_SUMMARY isopropanol (pH7) using wetted pH paper Make the extraction solution by mixing SP:SAMPLEPREP_SUMMARY acetonitrile, isopropanol and water in proportions 3 : 3 : 2 De-gas the SP:SAMPLEPREP_SUMMARY extraction solution for 5 min with nitrogen. Make sure that the nitrogen line SP:SAMPLEPREP_SUMMARY was flushed out of air before using it for degassing the extraction solvent SP:SAMPLEPREP_SUMMARY solution Sample Preparation Weigh 4mg tissue sample in to a 2mL Eppendorf tube. SP:SAMPLEPREP_SUMMARY Add 1mL extraction solvent to the tissue sample and homogenize for 45 seconds SP:SAMPLEPREP_SUMMARY ensuring that sample resembles a powder. In between samples, clean the SP:SAMPLEPREP_SUMMARY homogenizer in solutions of methanol, acetone, water, and the extraction solvent SP:SAMPLEPREP_SUMMARY in the order listed. Vortex samples for 10 seconds, then 5 minutes on 4°C SP:SAMPLEPREP_SUMMARY shaker. Centrifuge the samples for 2 minutes at 14,000 rcf. Aliquot 500µL SP:SAMPLEPREP_SUMMARY supernatant for analysis, and 500µL for a backup. Store backup aliquots in the SP:SAMPLEPREP_SUMMARY -20°C freezer. Evaporate one 500µl analysis aliquot in the Labconco Centrivap SP:SAMPLEPREP_SUMMARY cold trap concentrator to complete dryness (typically overnight). The dried SP:SAMPLEPREP_SUMMARY aliquot is then re-suspended with 500μl 50% acetonitrile (degassed as given) SP:SAMPLEPREP_SUMMARY Centrifuge for 2 minutes at 14,000 rcf using the centrifuge Eppendorf 5415. SP:SAMPLEPREP_SUMMARY Remove supernatant to a new Eppendorf tube. Evaporate the supernatant to dryness SP:SAMPLEPREP_SUMMARY in the the Labconco Centrivap cold trap concentrator. Submit to derivatization. SP:SAMPLEPREP_SUMMARY The residue should contain membrane lipids because these are supposedly not SP:SAMPLEPREP_SUMMARY soluble enough to be found in the 50% acetonitrile solution. Therefore, this SP:SAMPLEPREP_SUMMARY ‘membrane residue’ is now taken for membrane lipidomic fingerprinting using SP:SAMPLEPREP_SUMMARY the nanomate LTQ ion trap mass spectrometer. Likely, a good solvent to SP:SAMPLEPREP_SUMMARY redissolve the membrane lipids is e.g. 75% isopropanol (degassed as given SP:SAMPLEPREP_SUMMARY above). If the ‘analysis’ aliquot is to be used for semi lipophilic SP:SAMPLEPREP_SUMMARY compounds such as tyrosine pathway intermediates (incl. dopamine, serotonine SP:SAMPLEPREP_SUMMARY etc, i.e. polar aromatic compounds), then these are supposedly to be found SP:SAMPLEPREP_SUMMARY together with the ‘GCTOF’ aliquot. We can assume that this mixture is still SP:SAMPLEPREP_SUMMARY too complex for Agilent chipLCMS. Therefore, in order to develop and validate SP:SAMPLEPREP_SUMMARY target analysis for such aromatic compounds, we should use some sort of Solid SP:SAMPLEPREP_SUMMARY Phase purification. We re-suspend the dried ‘GCTOF’ aliquot in 300 l water SP:SAMPLEPREP_SUMMARY (degassed as before) to take out sugars, aliphatic amino acids, hydroxyl acids SP:SAMPLEPREP_SUMMARY and similar logP compounds. The residue should contain our target aromatics .We SP:SAMPLEPREP_SUMMARY could also try to adjust pH by using low concentration acetate or phosphate SP:SAMPLEPREP_SUMMARY buffer. The residue could then be taken up in 50% acetonitrile and used for SP:SAMPLEPREP_SUMMARY GCTOF and Agilent chipMS experiments. The other aliquot should be checked how SP:SAMPLEPREP_SUMMARY much of our target compounds would actually be found in the ‘sugar’ SP:SAMPLEPREP_SUMMARY fraction. 6. Problems To prevent contamination disposable material is used. SP:SAMPLEPREP_SUMMARY Control pH from extraction mix. 7. Quality assurance For each sequence of sample SP:SAMPLEPREP_SUMMARY extractions, perform one blank negative control extraction by applying the total SP:SAMPLEPREP_SUMMARY procedure (i.e. all materials and plastic ware) without biological sample. 8. SP:SAMPLEPREP_SUMMARY Disposal of waste Collect all chemicals in appropriate bottles and follow the SP:SAMPLEPREP_SUMMARY disposal rules. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco Pegasus IV GC CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #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 Gas Chromatography conditions: A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column MS:MS_COMMENTS (0.25 μm 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 m MS:MS_COMMENTS integrated guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium MS:MS_COMMENTS with built-in purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. MS:MS_COMMENTS The oven temperature is held constant at 50°C for 1 min and then ramped at MS:MS_COMMENTS 20°C/min to 330°C at which it is held constant for 5 min. Mass spectrometer MS:MS_COMMENTS settings: A Leco Pegasus IV time of flight mass spectrometer is controlled by MS:MS_COMMENTS the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line MS:MS_COMMENTS temperature between gas chromatograph and mass spectrometer is set to 280°C. MS:MS_COMMENTS Electron impact ionization at 70V is employed with an ion source temperature of MS:MS_COMMENTS 250°C. Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 MS:MS_COMMENTS Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples RS-01550847 RS-01562406 RS-01573894 RS-01583300 RS-01586081 RS-01588531 RS-01593510 RS-01595805 RS-01607316 RS-01612662 RS-01615394 RS-01617151 RS-01617239 RS-01619882 RS-01619959 RS-01620324 RS-01621805 RS-01624520 RS-01628811 RS-01629568 RS-01632481 RS-01632777 RS-01633836 RS-01636514 RS-01642079 RS-01648412 RS-01648646 RS-01656559 RS-01674179 RS-01682491 RS-01684878 RS-01686256 RS-01686689 RS-01686970 RS-01691100 RS-01692427 RS-01692961 RS-01694422 RS-01694702 RS-01699469 RS-01701913 RS-01703916 RS-01705376 RS-01707107 RS-01707600 RS-01710801 RS-01711936 RS-01713082 RS-01713159 RS-01713688 RS-01715441 RS-01716816 RS-01717356 RS-01718580 RS-01720175 RS-01721093 RS-01724083 RS-01725332 RS-01726002 RS-01728315 RS-01730322 RS-01730419 RS-01731621 RS-01733290 RS-01734025 RS-01734682 RS-01735451 RS-01736961 RS-01741420 RS-01743017 RS-01744503 RS-01744646 RS-01745453 RS-01747121 RS-01756482 RS-01757819 RS-01758770 RS-01759706 RS-01759766 RS-01762908 RS-01764379 RS-01767096 RS-01770448 RS-01773507 RS-01774047 RS-01774399 RS-01775226 RS-01775753 RS-01776107 RS-01776606 RS-01776956 RS-01777046 RS-01780054 RS-01792138 RS-01794455 RS-01800028 RS-01803016 RS-01806169 RS-01807004 RS-01807589 RS-01810913 RS-01811878 RS-01814240 RS-01814721 RS-01815013 RS-01815851 RS-01820287 RS-01827285 RS-01830740 RS-01830821 RS-01831516 RS-01833768 RS-01835828 RS-01838037 RS-01841442 RS-01843945 RS-01844904 RS-01851680 RS-01859492 RS-01861262 RS-01862503 RS-01865077 RS-01865955 RS-01871551 RS-01873203 RS-01874232 RS-01878516 RS-01881419 RS-01881504 RS-01882370 RS-01884411 RS-01884878 RS-01888263 RS-01890004 RS-01890933 RS-01891608 RS-01891680 RS-01895531 RS-01898429 RS-01898928 RS-01899036 RS-01901893 RS-01904395 RS-01905457 RS-01905912 RS-01905943 RS-01906153 RS-01909499 RS-01910366 RS-01912433 RS-01915351 RS-01915825 RS-01916371 RS-01919083 RS-01920219 RS-01922845 RS-01922997 RS-01923360 RS-01923647 RS-01925071 RS-01927999 RS-01931721 RS-01933106 RS-01933496 RS-01936986 RS-01937683 RS-01940412 RS-01943090 RS-01945211 RS-01946271 RS-01948560 RS-01950684 RS-01952666 RS-01955354 RS-01955980 RS-01956466 RS-01965935 RS-01971049 RS-01975204 RS-01975582 RS-01975659 RS-02017643 RS-02019510 RS-02020293 RS-02022737 RS-02023824 RS-02024202 RS-02027065 RS-02029507 RS-02037282 RS-02037571 RS-02040155 RS-02041308 RS-02045370 RS-02046599 RS-02047137 RS-02049971 RS-02051836 RS-02052504 RS-02055157 RS-02055215 RS-02057574 RS-02060161 RS-02061501 RS-02061579 RS-02062802 RS-02080484 RS-02080521 RS-02082111 RS-02088574 RS-02089132 RS-02091843 RS-02095379 RS-02096722 RS-02096868 RS-02099604 RS-02099922 RS-02101117 RS-02107455 RS-02108617 RS-02108921 RS-02116664 RS-02118840 RS-02119140 RS-02124349 RS-02126796 RS-02127671 RS-02128352 RS-02129862 RS-02135566 RS-02136451 RS-02136527 RS-02137274 RS-02138650 RS-02139721 RS-02142009 RS-02145607 RS-02146133 RS-02152009 RS-02152490 RS-02153108 RS-02155235 RS-02156423 RS-02159492 RS-02162522 RS-02163042 RS-02165754 RS-02166761 RS-02167382 RS-02168982 RS-02169817 RS-02171890 RS-02173280 RS-02173508 RS-02173913 RS-02174609 RS-02174862 RS-02176958 RS-02177759 RS-02179400 RS-02180401 RS-02184819 RS-02185095 RS-02186113 RS-02186657 RS-02189574 RS-02193435 RS-02198195 RS-02199138 RS-02203857 RS-02206320 RS-02207686 RS-02208390 RS-02209031 RS-02209976 RS-02210732 RS-02214180 RS-02217645 RS-02217950 RS-02219013 RS-02220128 RS-02221362 RS-02224681 RS-02227990 RS-02232898 RS-02243107 RS-02243892 RS-02245652 RS-02248429 RS-02254799 RS-02258363 RS-02260362 RS-02265353 RS-02267272 RS-02269206 RS-02275936 RS-02276192 RS-02278109 RS-02280076 RS-02281203 RS-02282576 RS-02283180 RS-02284594 RS-02284929 RS-02286525 RS-02290552 RS-02294711 RS-02295677 RS-02298863 RS-02299274 RS-02306766 RS-02306884 RS-02309618 RS-02309836 RS-02317073 RS-02325634 RS-02328813 RS-02331215 RS-02336876 RS-02342102 RS-02342624 RS-02343648 RS-02345931 RS-02348427 RS-02348475 RS-02349202 RS-02349825 RS-02353557 RS-02353973 RS-02505087 RS-02583622 RS-02613837 RS-02620835 RS-02621406 RS-02622790 RS-02625987 RS-02636604 RS-02637671 RS-02667585 RS-02672335 RS-02673059 RS-02674499 RS-02681304 RS-02686740 RS-02710755 RS-02721185 RS-02721339 RS-02724209 RS-02729762 RS-02731725 RS-02734075 RS-02734836 RS-02744983 RS-02750161 RS-02755964 RS-02756003 Factors Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment (pre-post):Pre-intervention Treatment 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177836 225041 168072 142941 161980 tryptophan 185215 164311 183730 196801 181251 164392 161743 188749 180317 165800 198102 184201 175224 144064 159314 230048 194860 185140 164798 147976 192848 170849 217350 153131 177296 181928 171821 183972 174254 180027 152395 188416 182372 158930 249163 234631 185150 193611 156561 174656 161981 193559 194811 185664 128630 187622 234501 160874 193533 160207 220757 186914 158600 92620 141199 177217 196780 192887 143241 120987 174493 129208 145955 203821 187328 165686 111905 254454 219249 173879 231737 172200 132318 161130 174467 153811 192725 179463 106622 169726 228596 178519 33063 192721 175190 199143 105550 182190 138317 136675 219956 115675 159499 204506 244824 174109 179531 197923 158558 201735 157311 128384 172457 191999 153870 228379 177012 187037 119990 169655 143429 209343 143192 180328 252026 162417 164191 141584 138663 210129 165103 194849 132761 196421 177864 173222 101046 162968 170828 141087 130602 175175 151056 173344 184220 184776 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100 103 88 201 143 threonine 72129 80490 72895 82965 83685 82905 95744 58051 97531 109868 56737 94487 71483 67843 55371 121722 64179 72830 101910 69157 61529 72231 79800 96936 81726 102496 74866 46968 70909 75109 70718 102401 126469 69490 76867 70944 106807 79795 97395 83189 59597 77195 89735 81589 114620 66548 77927 88469 61405 96066 78669 77971 87527 47151 51915 63127 103586 75016 56828 54229 73884 83049 93399 46706 73083 75896 49106 77284 84853 62734 79895 62179 63604 58590 74682 102653 73729 72530 77860 68520 87148 72822 21178 78079 82579 88548 106251 65743 89439 77016 72803 89255 61097 112845 103794 88806 103349 177652 118681 71430 61519 68817 91795 111177 37753 71561 102753 109543 62599 91417 69264 72200 33511 69841 111845 109734 63240 60777 60858 68586 55567 89382 79147 68984 80470 61442 76005 49352 45302 83982 61751 49703 81804 100455 91595 98932 82349 60139 62663 51942 98475 89015 49453 80664 64288 100961 69817 82701 50284 95262 57139 61177 91290 104402 60611 79831 58212 98688 112623 39255 58070 69228 76216 44871 59753 72782 56815 41856 77314 87785 95277 69875 52599 85949 101603 62683 63767 65814 73281 92636 69457 43906 97930 104551 55230 67581 62739 74454 65495 62797 67039 86316 109529 72487 64456 59450 74058 58576 57464 68669 52576 102525 39684 96332 66992 73272 96170 70579 62679 58140 92232 43940 85720 89925 67184 50653 63488 42680 61982 48416 44730 97602 75168 72276 67899 53254 52657 47054 67464 58692 51894 44409 50139 102586 163538 54889 49622 62952 53972 59504 72833 89825 58756 88531 56984 45058 55994 67923 63600 71193 67750 37227 59002 78872 83778 69787 58931 139220 110254 61960 55979 77180 34647 52148 72692 57268 56001 47994 79238 43525 73664 80894 50403 89478 90263 91754 75508 45888 52170 40341 31936 37047 58998 49137 65452 92398 58958 77823 58111 63582 82379 54847 55611 48424 66404 75786 51578 57311 59565 53075 62149 107275 51182 64682 79504 41721 57190 38004 94276 64761 66387 62976 68648 67739 66193 51705 53743 58503 43089 43419 43109 72496 97845 43421 76327 65695 57288 46989 77908 79292 62148 102143 100510 57890 80948 52842 48385 60710 56497 65759 60783 30638 64282 61524 72568 67599 68503 42564 56729 61802 57024 69000 60360 50607 99857 66797 threonic acid 17360 17267 14181 25856 13630 9512 15462 2872 17818 4570 31775 22512 20673 15226 2786 15849 7987 9975 9527 5170 26579 18421 19153 2152 17782 15675 16861 8172 15959 4698 3776 10631 13430 5070 32824 16861 5849 26446 3824 18984 6177 6843 7057 6141 6005 34321 20372 20152 17297 10671 7300 2135 24121 3767 9184 15085 3620 14852 10292 2137 37799 15251 29057 7347 1792 10851 9602 25419 23383 14741 12035 11761 8799 1571 23190 14771 15527 31204 15825 19114 17971 12173 3937 10212 26572 21659 13500 16905 12673 22077 17030 15291 25689 17048 22412 20983 20175 6232 15121 18563 28472 11198 22348 18808 18567 31892 13839 29735 6448 28197 17350 14715 18990 14543 19557 24051 21655 17417 30236 10970 19207 29228 7196 22390 9142 6088 18708 24810 9784 20090 10765 13068 4219 11143 52638 20855 14882 4647 5183 13533 16024 6938 4405 7958 4988 12753 14634 13637 17849 17356 26309 13059 2616 7267 23579 4413 13402 14842 17994 18519 19927 17805 14205 8729 4483 9842 11875 13046 20912 34771 3126 14059 13270 18898 9100 13973 15712 2685 15976 23223 8912 16904 6381 11829 7604 3685 7153 22009 16060 3714 9407 13091 13755 7200 3504 2310 28656 10612 9457 4471 17898 4734 12192 6424 12567 9934 2360 27588 12690 11858 12291 7044 5549 13823 16169 11594 9868 24138 11040 21755 12188 7088 17595 10085 12821 12364 24741 16505 11050 10653 7694 19366 34205 17274 9480 19301 31619 17308 21096 3143 12877 13173 12345 3335 9486 23712 21337 29281 13956 17513 2421 37195 16255 23027 31529 16216 25432 4935 20286 15743 14801 20361 16159 20227 3494 15729 19829 19476 33369 21926 17044 16989 14878 14088 12244 2877 12493 22315 13208 13813 18544 15705 26280 26786 3120 19676 9431 17981 23942 3668 5664 3199 18300 25236 19787 17180 15788 16150 17087 10274 18414 9077 7209 28965 13551 27929 4422 27583 19580 19619 11498 10558 10643 21490 15287 17702 15981 19338 14136 8055 17795 15689 14782 16717 18114 45987 38547 21724 15312 7459 10163 7850 16878 20721 20125 13702 6912 13002 18013 21288 23865 15124 1156 13341 3987 28472 16848 16798 1113 19902 4750 10731 6315 6837 4412 19885 threitol 1359 1320 1408 3287 2041 6614 4632 1772 2045 1076 3795 2985 2760 3615 1701 1380 1443 1561 2205 1617 2001 12184 4882 3887 3015 3133 2550 1208 2599 1568 1262 1565 2977 5024 16103 2385 926 4474 1336 1335 2752 987 1440 1367 2044 3680 1496 3162 1850 1073 1176 1539 1633 3305 2828 1686 1888 1723 2422 921 3596 1111 2526 1701 1405 1914 15440 2358 2023 1399 1342 1007 1091 1046 911 1026 2071 1824 6120 1271 2076 1577 1090 0 1678 5371 2818 3082 2107 1325 2439 1135 2272 1552 2438 3336 1688 1334 2054 2599 1356 2510 2074 1647 852 2765 2384 3097 11837 1487 2590 1992 1285 3127 2040 2810 1391 1434 2328 807 1722 1259 876 1108 1689 2772 2267 1361 807 1448 2273 1635 1719 1008 1014 2585 4668 2416 1239 5798 1175 2913 1621 1503 1458 1099 2011 3522 2007 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1519 2160 1520 3682 2779 1359 4301 tartaric acid 361 56 497 33 52 86 221 37 45 63 67 61 482 59 45 71 373 27 140 17 55 45 112 42 84 55 59 156 38 150 196 2346 451 33 216 18 330 27 93 146 148 210 34 73 293 238 336 158 19 20 41 9 239 276 504 112 39 35 886 117 340 170 406 199 50 81731 101 66 94 10 20 32 99 32 54 86 12 42 38 159 40 76 240 0 49 197 202 86 25 10 44 132 50 40 42 73 92 54 45 20 260 71 24 190 54 125 147 34 314 191 364 113 53 608 100 37 192 57 712 41 100 180 60 15 59 54 262 145 63 34 33 194 34 872 76 112 93 49 203 32 112 73 11 34 350 34 14 105 106 103 74 61 236 63 53 85 59 33 54 1435 508 173 110 54 78 56 54 6765 394 565 128 614 26 88 114 192 123 390 35 85 64 264 259 173 29 265 1501 37 453 173 45 256 141 16 283 673 46 86 45 37 32 103 400 586 26 19 46 870 257 41 23 239 20 239 50 106 702 64 115 188 34 62 129 379 61 191 37 94 376 78 189 22 59 82 56 51 32 43 124 298 73 135 96 43 308 100 55 238 105 63 30 61 37 233 115 31 95 41 91 45 94 40 53 114 72 354 71 88 99 58 130 31 26 18 26 2 1002 54 66 166 52 1237 24 73 50 44 188 131 34 46 30 118 86 181 31 65 28 240 422 104 368 131 167 41 281 171 87 31 10 67 31 219 262 286 126 66 72 789 57 66 223 51 605 426 20 35 145 177 31 42 68 617 41 598 244 28 84 37 132 59 21 1216 10 167 95 59 73 28 131 195 71 172 209 56 89 122 tagatose 114 243 977 227 219 228 271 278 229 392 252 383 147 297 257 70 141 260 275 266 476 204 191 265 257 294 221 390 326 196 351 292 327 232 222 316 337 387 251 326 326 274 241 174 332 271 345 251 239 302 327 194 202 402 287 237 163 362 256 234 240 332 521 341 277 300 588 257 281 279 255 176 151 162 259 263 167 62 296 240 237 216 50 0 240 289 317 308 325 264 367 325 347 603 498 215 304 258 457 485 347 177 313 310 512 377 306 380 215 278 534 438 593 316 357 295 488 534 539 490 358 224 170 329 359 503 415 460 625 792 287 268 167 249 368 434 438 489 317 411 681 192 251 185 178 515 82 688 222 440 404 440 199 249 463 556 298 247 368 12100 384 3539 266 324 162 330 372 12325 485 395 331 193 244 352 413 246 255 359 441 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17262 14813 14160 17780 15646 18008 20115 14357 17240 14583 15874 13350 13277 17646 15109 17021 13169 15146 17306 13407 15140 21341 15264 17272 15759 12185 16386 15344 14924 16732 22266 16076 17268 17319 13962 9149 9719 15070 17664 14069 15738 14681 12262 14760 15778 14838 15091 17429 15759 17265 14528 16082 15362 17131 12572 25025 16905 14656 18796 16820 15011 15591 16568 14582 19227 14857 17481 16032 16839 14444 14304 15959 14775 13854 16375 11726 14170 17408 14127 14338 14916 14535 14446 12592 15547 15689 16294 14503 14252 15192 14372 14205 13201 14917 16043 15491 16572 6549 15144 15943 16909 14533 18704 13939 13463 12699 7231 16948 16523 15665 15239 17036 126247 19539 15450 7547 6009 5616 7034 6358 32866 8291 7102 5368 5507 5580 6522 5825 7896 6713 5882 7036 6636 7530 7581 5449 5913 6464 5240 6659 7409 7119 8119 6946 13473 5971 6178 6115 8806 7802 7258 6876 7039 6572 5346 7866 7214 5709 6357 9126 7306 6516 9484 6757 5315 8540 6926 6944 5619 7854 7229 10542 8566 7562 7120 7509 10617 7291 5872 7726 6059 7965 5954 5987 5959 8705 6409 7107 9151 7743 7022 7185 8263 6220 8010 7089 4967 3809 5453 5314 6306 4688 4934 4844 6261 4812 4399 5314 5226 5558 3873 5879 5960 5966 4569 4678 4571 5703 3936 5551 5139 5365 8413 4564 4156 4104 5143 4801 4433 5387 4524 5601 3458 4053 5713 5052 8834 4892 5244 4411 5455 4247 4559 4808 5282 5765 3951 5321 5490 5604 5496 4089 4621 5579 4414 4350 4414 4940 5655 4830 6134 5174 5182 4809 5050 4779 5572 4931 5182 6263 4907 5290 4895 5396 6398 5314 5677 5193 4612 7889 6347 5039 4036 6823 5306 4647 5043 5042 4340 12898 5007 4892 6078 4818 5783 4283 4977 4744 5026 4230 3926 4417 5418 8183 5244 5230 4435 7232 6640 succinic acid 3110 2868 3690 2810 2145 2140 2118 1998 2180 1637 2590 2776 1561 2786 1913 2122 1451 1549 1945 2027 3084 2396 2814 2267 2312 2234 2471 2382 1286 1810 1698 1734 1801 1994 2602 2308 2102 2602 2715 2791 2281 1903 1882 1962 1934 2652 3618 2961 2119 2352 2656 1662 1981 2291 2414 2613 1982 2727 2279 1839 1788 2455 1639 2518 1506 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2506 3510 2669 3228 2847 1952 3165 2475 2473 2649 3139 2484 2125 2455 2657 2486 2697 3173 2954 2152 2494 2818 2546 3322 2061 2506 2226 2549 3205 2630 2428 2891 2665 2514 2292 3316 2448 2205 3192 3418 3277 1960 3111 2517 2364 2564 2753 2981 2939 2093 3544 3773 3517 3539 2165 2283 2951 3078 2721 2772 3913 4530 4251 4231 1928 3958 2319 1972 2935 4292 5948 1956 2363 3439 3548 4122 2369 2498 2458 2843 3817 2463 2381 2180 2608 2702 2218 3182 2276 2438 2597 serotonin 2881 230 3576 1093 358 943 906 1670 2008 1073 1540 1190 1321 2624 651 1616 1429 206 623 2593 1149 1157 2403 2717 911 2961 2390 1775 198 230 3032 1607 550 1978 1692 5758 1580 933 4405 1102 1862 174 1875 2475 1324 247 1286 2462 6524 1369 1767 133 1988 431 1544 3392 2276 1566 230 878 185 1585 1483 1490 127 4807 351 760 4023 2042 1179 1593 156 1207 3127 1727 2594 7838 2852 3162 607 1281 830 0 960 3274 364 1920 1541 1121 516 1670 2549 3431 1136 857 1242 580 1879 489 6079 1245 3770 3094 1235 1352 1110 851 1065 5478 1759 1792 718 910 2152 1030 1852 1635 1533 1156 1846 1376 2472 1327 1488 663 732 2225 988 2581 2309 2286 1628 5103 3193 2203 1653 402 3758 408 3032 3334 3828 1060 4180 1495 2947 1856 2888 3665 359 679 5160 3921 3016 1427 1510 730 3804 730 4309 1636 931 109 5133 1438 1259 543 3447 3313 1657 1665 634 2983 686 5371 2299 2692 969 2371 3444 2757 2253 2134 2995 895 1247 1565 2409 284 1921 2931 1668 2577 860 1260 2158 1539 209 358 2044 864 646 2225 806 224 1848 2771 1076 293 803 899 2997 2955 1978 285 3303 2359 1988 2945 122 1979 1568 2485 6043 2819 1210 2533 2008 167 2303 2172 2693 1853 3271 168 1771 6649 1497 3236 2874 5508 4511 176 2464 2228 208 2553 2928 1884 135 1862 547 2187 1742 720 4701 879 4270 3274 2132 1235 250 3806 338 926 1471 1905 2723 125 1403 1458 1595 2132 831 397 1851 1074 868 4011 232 805 975 2426 1730 1628 568 1166 2080 1473 3706 254 1600 1411 1100 1973 3099 454 675 1165 2788 2565 213 3191 822 1244 5529 962 2437 2343 1352 409 1773 2755 1327 2045 1455 1559 2748 4417 832 3015 3087 2033 2628 2360 4319 2312 1417 1790 2114 2983 5217 958 2792 2372 149 2843 2814 2366 1973 205 1328 3063 2597 1167 1508 270 908 1938 4864 2906 2869 308 4321 2254 serine 137402 121453 150393 187041 129992 227482 159421 86514 151696 206377 184765 162233 142415 197805 80977 210176 168690 135771 127916 91355 169877 160938 172226 137266 128227 172322 199259 168207 146212 159402 208150 183750 94545 123841 160880 174044 113553 156808 129388 157857 150863 189570 192748 187610 168092 116473 228517 196037 134282 111706 167971 131232 167963 187846 159842 177305 156812 148229 107736 132312 153093 156824 169998 133570 152942 217032 208800 153214 187552 152323 163513 156389 120858 176233 170404 126608 162423 242160 227193 136233 157050 121089 39300 172292 127991 173288 152191 142942 175259 171466 207829 167049 117432 195269 183389 183015 149452 164214 223253 163031 233281 121739 146937 176215 174486 223634 146681 154096 143240 218477 103242 217136 154238 158962 130843 180378 129794 104306 170039 172383 168238 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231034 112979 191059 142780 213373 181325 213704 173794 115916 148139 142723 192110 187609 183574 163922 157373 164182 150255 218176 156644 236175 167468 108706 120032 239657 179017 221075 203456 198606 128835 150732 271393 238339 222849 146080 205785 237489 215413 150597 206874 252544 202828 172494 206991 293254 208850 257486 212022 163240 259318 152750 236752 155294 275673 213436 197803 214138 155940 269252 192991 210140 170809 188009 173716 118294 116423 131222 220902 180760 147559 174388 151678 126674 134485 196299 196108 247887 107900 125925 171152 99269 218063 144703 110858 159224 177385 215543 195966 176523 121778 242396 213328 salicylic acid 365 497 375 199 442 292 321 368 274 228 842 241 252 299 207 177 310 142 1846 173 404 659 368 53197 17330 212 219 724 176 520 205 209 1730 207 471 807 249 23947 49589 258 167 205 326 172 352 1712 404 1536 431 274 679 1388 672 29038 178 244 522 245 208 1210 3201 304 1742 413 916 1743 939 200 744 3863 347 3104 133 1263 442 1174 214 693 721 17656 383 524 680 0 783 610 201 866 260 372 221 225 3175 1338 2510 3789 325 234 681 204 494 372 1349 17640 175 2203 581 265 825 756 336 18609 182 733 791 213 346 182 1463 1531 671 17465 546 245 47871 209 667 838 300 1827 871 290 751 250 198 559 43212 150 171 373 1855 474 417 15582 201 237 701 741 336 256 268 224 344 788 514 651 459 991 182 291 22075 190718 489 312 290 726 356 1105 512 302 199 386 277 368 254 342 5872 123 292 465 561 487 1060 463 226 37741 498 304 1595 567 317 1588 1011 168 92397 160 1026 374 270 303 409 140 293 1010 51274 349 576 455 337 228 234 198 424 3630 784 453 250 248 211 499 439 338 283 265 8762 493 1284 283 203 231 1207 193 412 1088 443 178 2160 310 1227 894 338 358 479 203 1443 857 374 22041 300 1085 74909 209 246 374 9691 666 529 243 289 186 437 31786 1708 351 256 193 584 51269 2423 1374 385 7157 312 311 793 227 348 199 213 132 11532 283 563 437 843 25738 196 15622 255 385 165 482 11784 1723 41449 403 623 339 393 327 1216 242 210 308 299 20474 207 5149 391 316 286 198 1022 832 322 2352 258 268 315 239 2704 754 479 371 206 419 673 391 319 219 239 347 141 215 357 326 256 222 1056 44055 349 224 175 569 207 821 265 304 168 196 384 670 192 245 488 60852 saccharic acid 215 191 297 240 254 271 260 275 295 274 312 224 316 246 213 261 233 197 170 249 387 213 322 236 173 166 266 205 169 246 196 191 324 233 213 271 153 351 338 181 358 180 172 234 237 353 249 469 204 152 353 206 247 449 257 239 206 261 168 163 299 191 491 339 202 268 746 381 163 181 260 169 178 192 278 243 340 286 201 288 420 256 180 0 240 259 346 192 265 196 246 259 269 267 316 281 260 287 160 236 246 230 298 329 196 299 308 234 251 203 371 235 180 423 226 273 270 391 350 153 232 237 225 264 203 727 276 347 210 261 246 237 308 254 246 524 226 548 199 371 214 308 272 369 251 183 221 536 229 273 232 277 197 217 283 310 250 215 181 3547 391 217 231 240 378 408 280 5903 307 323 270 189 190 179 248 464 261 371 263 273 362 300 334 404 245 158 276 277 455 154 297 286 504 279 105 362 409 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11861 12574 10430 3480 8702 22040 8066 12179 11068 5027 16413 8750 21395 23870 14924 24638 2518 15978 3756 10000 8641 13496 3487 8304 9743 4083 18879 14494 19016 19486 5304 7681 14196 4706 14566 18223 14032 9008 25641 24027 9806 11309 9916 5167 7940 16786 14048 12577 7081 5541 18728 10730 18895 12562 12614 8911 21050 15391 12773 8694 5846 6093 6696 17942 6472 18274 11106 6559 8582 29173 15012 7187 13218 8501 20012 13781 10039 20664 21695 4979 28045 21521 18508 10860 20161 19073 17210 11555 24328 19870 24272 18917 4852 16443 23134 13725 20555 15329 12735 19220 8602 13040 6503 12624 9430 12307 6939 21827 11703 27974 5100 6566 17134 21494 14146 6843 26495 20632 11775 26503 16644 9319 15389 3311 16509 12204 16953 24641 26102 14657 7950 20000 9322 13400 5747 20519 10966 14420 11302 16942 17818 13537 8684 26496 20664 18232 15629 11916 17221 21071 30178 11543 33217 22142 11286 20360 22504 14762 14326 24066 23676 22917 21937 18492 18097 24604 16616 15080 15213 8834 22331 16817 26117 25566 20418 28811 23428 12538 25299 12036 20583 20962 18627 19589 23397 19814 15429 25369 7211 18837 23777 11406 42615 16870 21738 15988 18061 13039 23987 26148 16268 15845 13089 20636 25099 10311 16384 16665 19062 15047 11623 21752 17253 14515 12009 29175 22919 7249 6637 28416 26688 19191 12731 6233 12354 20491 23751 11988 14614 8377 10405 18898 16874 20109 4844 4276 20789 22590 11180 28768 3143 5756 25981 17323 17053 24953 5268 23886 14360 20214 20171 7703 16239 12274 26885 23046 13201 38609 13737 17193 13975 14404 23313 14943 11762 9843 21314 11878 18111 9446 11206 18053 8739 16937 17257 15541 14894 5367 10785 15932 22332 15840 10710 10479 12653 9400 29072 19632 30196 10121 17929 16433 ribonic acid 635 759 899 589 702 871 887 683 475 754 576 919 1057 784 748 861 761 669 558 839 941 982 975 737 861 757 941 601 718 480 528 749 916 732 376 1031 696 910 667 868 1077 591 631 602 834 1045 1013 1307 659 531 740 867 1258 1463 729 597 988 674 791 481 1075 800 1853 1201 908 955 2970 903 834 638 814 500 572 618 612 662 786 1035 701 821 1142 735 380 0 706 539 868 957 1003 629 744 660 653 1228 1332 726 761 876 1118 826 759 744 737 781 575 1257 1205 661 683 764 1262 1258 1065 1696 1138 697 750 1541 1490 797 883 1222 516 553 821 2927 1205 1120 660 767 973 811 801 675 470 1270 1290 1184 587 821 836 1130 618 867 611 892 819 1455 662 916 652 775 552 1116 953 1061 857 620 1073 7193 1940 640 745 593 795 768 949 7750 1242 879 479 1303 576 716 790 1765 861 774 791 801 829 913 827 823 1338 556 903 926 1438 867 1025 1266 1101 1351 484 1112 850 1024 825 592 816 730 900 626 678 811 1313 914 740 769 710 885 885 638 730 868 589 969 840 1234 606 759 670 1179 752 952 764 661 423 571 801 1062 982 777 686 724 1175 784 1009 683 665 706 597 778 901 2097 761 949 793 843 683 868 564 1090 928 467 775 617 895 689 792 1934 734 866 1166 630 1610 651 1029 912 474 649 751 1204 641 756 1519 1067 1061 587 653 938 566 772 1418 902 1214 848 531 1450 805 575 1321 605 593 792 1010 994 706 565 617 745 580 1092 1466 747 924 866 886 791 613 1206 855 613 680 804 1197 1414 664 738 1340 840 709 788 749 877 864 1017 814 469 819 804 1000 697 740 465 997 558 457 1004 775 1113 806 602 873 803 883 834 895 901 917 573 1383 1032 633 812 quinic acid 676 955 343 3784 4434 3348 7468 199 2054 2720 179 2878 1982 566 187 1178 3627 109 578 278 186 630 3399 1548 368 1149 280 1882 84 416 3674 3408 2471 352 752 2097 328 859 2348 3530 732 1141 2780 3157 7484 258 927 2487 1309 331 391 672 2040 1255 476 327 4504 774 1529 309 697 782 4199 2642 434 12650 2032 632 439 561 2546 375 313 318 868 1506 1432 14872 1963 231 986 2411 725 0 692 295 237 758 870 297 3758 1094 179 1143 3002 12414 1225 287 335 3337 1642 264 683 2521 83 4420 303 635 291 722 1829 2707 180 253 1002 677 288 2513 6608 226 4535 1197 349 256 51 4832 6268 5830 219 1319 1023 361 220 2737 373 6494 365 1098 213 444 1054 5185 217 3972 2486 8375 418 10513 361 4240 1803 359 187 3230 724 3900 813 8823 405 1685 4166 60 434 2650 996 879 3948 1151 3026 2021 1052 3 615 316 478 1540 3538 543 2522 280 220 292 586 410 519 152 338 854 1305 1361 708 3041 589 494 120 2332 508 436 316 301 2275 861 4183 2636 635 3847 1510 486 263 336 743 2026 370 3070 659 2185 301 791 1614 5939 336 2037 244 960 173 762 2809 728 335 812 115 730 9586 901 618 2926 1665 290 3297 274 158 1754 299 4845 213 314 4182 2816 383 2971 226 1640 528 2003 260 337 568 378 1003 241 2008 1850 47 1260 9257 291 78 678 2660 421 493 219 474 1737 1467 427 949 1525 193 987 38 409 1271 632 6162 8001 262 1294 1665 3539 361 5565 2401 499 1666 3505 734 371 2268 303 2751 852 4259 1879 1814 1495 1493 3797 1397 2403 428 382 1886 1496 3084 3387 1109 1890 8751 557 1844 627 333 5259 566 274 14141 1075 1276 53 997 174 1990 6195 291 290 2296 262 884 6135 257 3414 3191 1729 376 1929 4459 1870 2360 1030 335 928 455 3285 486 336 pyruvic acid 41691 22681 22770 25820 25041 17541 31306 35849 40595 17490 15790 15746 22328 32771 43322 18759 32073 39183 16599 24038 11122 27418 24552 31769 17488 14370 21039 18819 42343 31651 27193 39252 16717 26400 23387 18345 31193 13554 22854 14238 12558 26714 18817 22101 18810 23671 29528 21039 32923 7570 14905 25954 50732 30047 18437 13121 22331 13780 35168 40968 39096 11955 24388 45933 38569 15643 22777 23678 10085 16832 19100 25378 47603 42138 17491 27552 26034 23351 21805 21967 22760 34142 11539 23657 18126 24317 11115 22361 14463 22452 26611 14769 25619 10409 8124 18329 14468 18375 12404 20147 12669 23126 23040 15637 11718 24565 25066 11030 33590 16375 30105 13712 11298 24348 19624 20922 23996 23095 12549 17389 10344 8168 28358 25707 40971 18009 7894 11502 23085 12958 24203 26315 26293 15167 12699 27634 37355 16986 50614 23302 8731 25150 28759 26608 19718 23169 17964 12993 30673 13207 22875 17234 38416 12142 21256 18418 16892 25782 21624 9684 14194 19630 13402 35227 25551 13758 22157 22122 5008 9741 30037 29849 23758 16651 12237 14927 4031 29075 27729 11393 12315 20626 13182 14802 42793 33303 20369 25769 24535 9463 8709 11000 7753 32198 25256 48516 13006 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4499 4350 4594 2793 5058 4311 4646 4945 3467 4654 4354 5407 4690 5175 5907 3371 3668 3972 5071 5123 4690 5760 4863 2719 4648 4924 4094 4526 3695 5492 4121 4783 4352 5338 3708 4943 2904 4894 6922 5543 4049 3710 5041 3573 5393 4054 5817 5793 5252 4980 3903 4037 4755 3839 5068 4684 4398 4683 3349 3483 6829 4726 4863 4950 4479 4923 4640 4203 4985 4635 4625 4699 6522 43645 24294 61411 5504 4852 3686 4177 4682 3710 36173 38680 52498 5101 5381 4673 4631 4491 4378 83363 79893 37267 62980 3364 4193 6551 5251 7519 31759 49192 43331 80125 5459 5447 5648 5076 4953 43153 5452 47380 3946 4876 3367 4586 4794 4851 32976 5560 81839 4719 3747 4265 5030 5496 6579 27196 88991 73933 3899 4608 3489 5669 4512 3709 4558 39299 42872 6644 4728 4975 3146 4193 4690 5721 39707 64787 55045 6386 4326 3945 4569 6127 4624 4138 3526 5282 4872 5055 5630 4931 3441 4524 3511 4276 4798 4150 4405 3810 4221 4886 4167 4277 3111 3314 3596 4319 4220 6548 7381 4054 3952 3591 3821 4148 4523 4090 6452 7619 4251 3952 4181 4212 3138 4672 4224 4739 3845 4723 5027 10997 4679 3087 7191 4549 4802 4505 4445 4591 4056 6823 3817 4232 4757 5013 5149 4483 6067 5475 9906 3827 3647 4240 8264 4452 4641 4600 4374 4177 4517 5262 4111 6326 6443 8275 3429 3838 6673 5498 3777 4124 4418 1123 4299 3986 4903 4219 5515 3686 7675 6956 5100 4125 3499 2940 8304 4449 4396 4129 5524 4297 5058 4207 3590 3991 4285 4632 4571 4494 4852 3788 3719 4605 4292 4857 3961 4369 4709 6170 4202 3483 6834 4060 5059 5579 5533 4675 6023 7445 9665 3521 7529 6576 4422 6211 4763 7434 5764 10347 6598 6056 3756 6355 3963 5313 3735 8152 7361 4044 9205 5577 5904 6490 5478 6175 4098 4367 6423 6142 4798 6607 6991 6483 3476 7375 4525 3023 6509 3584 6395 4242 3892 8164 3488 4034 3696 4256 3727 3579 3649 7265 7633 4970 7164 3229 5539 9935 p-tolyl glucuronide 535 93 359 81 201 257 94 159 37 189 71 86 50 63 224 252 73 32 247 80 257 308 255 118 255 186 98 43 233 165 1312 165 80 28 45 75 65 55 238 107 118 380 322 695 201 1146 184 113 76 103 233 100 332 382 243 227 156 386 504 190 677 182 308 113 179 139 201 63 131 595 27 85 504 157 104 69 215 167 223 159 69 61 175 0 74 58 52 180 139 121 51 116 104 277 211 169 98 99 84 105 211 153 447 190 3316 154 67 50 164 175 543 75 3968 57 101 139 142 129 176 105 213 241 52 78 258 110 420 160 60 161 303 261 142 303 127 301 673 60 143 177 92 113 174 59 128 223 49 349 187 87 163 144 163 151 160 528 63 111 100 16213 190 433 63 380 187 80 73 3936 396 118 56 441 194 76 78 315 627 100 180 77 188 191 141 426 81 126 190 248 244 807 108 70 464 161 187 268 252 127 76 822 49 524 60 96 72 117 167 174 23 82 374 122 54 47 39 149 227 80 148 671 132 107 340 73 74 40 74 83 152 225 141 53 454 258 23 68 132 60 89 119 52 338 245 126 244 150 68 334 88 59 75 45 77 107 549 62 63 57 280 229 404 58 649 163 68 63 136 110 291 194 49 215 58 54 93 78 34 65 337 172 635 55 240 81 41 61 437 656 200 57 83 161 141 130 292 84 1011 199 80 214 450 71 296 160 411 103 461 94 77 357 314 314 277 275 195 29 65 215 183 1022 75 164 336 429 129 54 556 97 103 71 145 312 70 212 103 145 1257 61 168 99 212 1771 213 309 24 113 188 120 37 74 52 479 116 66 69 83 psicose 3241 4673 6751 5204 16807 9544 477 1122 3120 7284 4046 6425 1008 8333 5418 8944 4163 1693 4031 1750 7580 5303 5678 3335 4343 7814 1255 7939 2438 5565 1008 3459 3685 477 7745 9565 7416 10052 8590 4495 11643 8847 10999 4898 7407 4442 4799 7067 3309 1162 8487 5805 4049 17720 5957 6251 5696 9716 5987 691 1013 8173 1122 4106 4358 9076 13063 1821 2036 4432 5900 4257 3466 5313 6085 3357 3629 4737 10278 3645 4658 1263 1581 4405 4413 6158 5736 4945 7177 764 1619 4974 2755 5682 10883 4426 7021 8129 10521 6103 6949 125 1339 10404 11886 6056 763 732 3274 390 684 7470 8738 1443 4896 1669 6780 6146 5541 6777 7462 9268 3142 3984 6028 6377 10734 11129 8703 10862 3838 365 7480 5997 6298 6082 5657 1476 967 6689 12774 4925 11258 3973 935 5574 4844 1096 4576 16777 4102 11451 4388 3374 1822 4664 6165 4626 6086 17477 9927 15376 8534 3540 876 853 3878 17762 1471 4347 909 19399 5814 3446 6352 4016 4161 2625 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97497 99165 88873 121872 119172 94873 101265 135862 142333 105906 82313 94836 101511 125275 102273 122212 98284 83729 90643 84601 106482 101232 122179 103686 122217 99487 110279 96304 112349 83380 113734 92290 113363 72619 131200 114577 129125 99741 79706 113666 107332 108564 102767 102471 108482 86782 113260 91724 97440 127877 107711 118207 96448 108466 102677 104121 89695 88639 94957 116058 106342 111930 130297 119978 101923 108830 104044 90926 134574 112035 95078 69285 112415 100894 102490 87600 106304 99567 86826 97365 90324 124811 103327 107133 73100 100976 103085 123484 83832 79610 84861 108573 99751 87653 106423 107334 80388 109425 101345 75668 95915 112744 104814 110594 87995 89257 91853 80710 110879 110004 112899 97237 106758 62714 91851 97151 86558 97438 114056 114156 73876 86585 100787 78224 98092 76900 78896 105222 106765 79273 93600 137537 93195 57246 86553 89422 81146 86868 93611 106191 84336 81683 96712 86703 115084 106495 92212 92780 123011 92678 75611 102461 88147 120508 87320 58349 80509 120303 108526 77182 84804 90401 95298 42920 83820 89733 92863 84959 85748 98602 94176 90933 98902 46969 95091 82328 134892 115514 117571 117242 73919 132402 118394 phenylethylamine 212 222 170 591 141 231 146 268 193 208 351 174 197 319 223 193 275 367 151 91 186 1087 260 151 680 103 412 229 252 134 137 189 214 279 257 264 291 330 170 274 208 193 174 184 187 901 391 335 206 108 192 140 267 349 190 329 209 220 292 104 384 208 268 198 151 208 107 327 304 195 322 221 200 165 231 311 206 403 289 305 427 201 90 0 181 201 173 281 149 334 181 202 170 603 293 226 219 109 238 75 332 102 173 287 156 252 416 261 214 230 99 309 162 317 193 350 134 116 191 154 170 198 155 168 253 288 175 363 183 231 106 280 140 260 384 178 371 131 114 104 252 225 219 158 234 217 209 371 318 289 287 84 139 224 257 90 157 203 265 221 576 167 335 91 32 208 309 239 421 364 142 148 80 224 164 229 324 473 264 259 302 359 234 130 672 238 302 359 321 138 196 158 134 246 287 243 389 372 102 135 181 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7482 7229 4360 2191 10897 8573 8907 4282 11002 11295 2900 10512 4870 10155 8237 3979 5112 5929 14451 7047 7953 18427 53000 9762 3625 10531 16900 5956 9185 7293 12102 13971 6536 13695 6694 18351 13219 1575 13031 7278 31497 7290 3808 3007 8056 23959 5996 9112 8551 7153 8087 3074 8277 7857 2764 8575 6419 6742 11830 1573 6050 9166 9756 9194 11830 3221 12981 9412 2154 17812 12135 16989 6664 9847 9383 3238 8667 4640 8358 7516 19178 3592 15561 10927 5339 12132 12213 12711 2848 12874 15736 6938 15000 10911 15229 8735 12915 7866 7939 7735 39193 8987 8521 9358 14456 11728 13657 13790 9090 5570 1845 8124 9716 17836 8421 6782 36184 29308 19793 9475 11660 14868 9845 12152 9340 50582 15118 9971 9876 9899 10983 10101 9598 5153 9089 12684 10641 4234 15111 16718 6376 11711 34127 14985 16324 10957 9638 9350 12817 4754 6542 20041 16195 20793 11117 9601 26472 20150 13154 8466 14067 10516 26534 8733 4645 13538 14531 19649 22333 9071 12952 17004 17526 15546 8601 16630 17805 12101 9018 7874 14334 13977 15553 13542 10026 8112 9494 14839 11803 18785 12554 3325 9151 14149 13430 14263 9784 9862 8964 11145 11250 8850 8904 11593 10415 11665 9092 10946 8539 13076 12325 9337 9990 13585 8846 7242 11908 11457 21973 9179 14446 8630 9617 14152 9224 19451 11134 10641 11728 10914 11549 9284 11047 11488 16337 13341 9331 9739 6791 11673 7211 11060 18170 7656 7465 7990 9200 15630 7980 22604 10293 10581 14717 3069 18921 14546 13489 13433 8739 9773 10637 34195 14360 23911 7159 14406 14614 11369 15990 15443 11261 8618 11555 14598 1063 12697 19246 8414 15160 15979 9770 11812 11868 11257 16579 12586 11275 5647 9601 8996 8398 10328 11286 21375 9307 7556 13152 11437 9877 9895 27468 9324 7559 13351 10350 14006 15904 8978 11451 12327 10543 6168 19631 9436 p-cresol 28659 8056 31012 10251 16713 9966 5754 7034 3147 9597 9914 5502 9713 8818 8990 17300 3748 3848 27508 7328 24835 22468 28213 14781 20272 13874 8298 3516 15496 8842 22037 12987 9155 4821 5247 3399 9302 11136 13052 11074 10072 17193 24629 19742 13348 40914 20683 22776 2542 8596 21729 10011 27047 43212 14685 20517 28375 27265 31589 9930 37620 13324 29992 11014 8552 13570 30765 6250 13196 31600 6681 7257 23291 12953 5439 2152 18121 25278 9430 8475 12681 5219 9909 7700 6503 4998 3187 14595 14427 10687 6327 7446 11562 14437 22118 10186 7772 4922 7474 5857 32940 6857 26234 40119 5195 10737 3953 3039 9148 33423 21837 9433 3721 6578 17435 10276 15797 8102 23648 14467 19050 31771 2379 8816 24831 33151 28212 25821 9634 18873 25988 24980 28112 28671 19195 34446 46003 8708 13782 12374 16424 15131 33053 11410 15051 12440 11028 42469 19211 19331 12290 12140 12952 20202 41232 23180 3506 10016 13829 197092 55196 33992 18931 30589 16341 17532 3053 93939 48900 30849 8327 65364 14866 7737 17561 25982 59775 24483 15225 7851 17671 67912 70121 19959 16011 34707 32195 22057 21569 39976 12675 11922 28886 19258 33181 25209 25157 18034 5624 34643 13616 23544 8039 3706 5897 7561 31444 21631 8235 6912 26802 11892 7319 3575 9299 12364 26556 14893 27780 69616 15697 9285 28513 19800 9852 9901 5950 4758 13432 16308 11177 10392 49221 10384 8369 11964 17037 17264 3978 22230 7773 53166 13987 10045 20758 40337 12881 40226 12211 7469 10584 2040 4665 13368 41044 5560 6260 1180 55875 13446 29677 1913 14697 16092 18969 3415 32665 12370 31346 38494 3271 20535 1344 8452 3047 1814 6024 1679 26911 16183 19042 9251 9500 3161 12851 6824 15375 33164 9021 10098 14135 23291 6615 11319 17316 5606 62109 32002 10566 16936 20010 7146 14243 16391 31393 14788 14827 18663 21618 21362 24571 45835 19983 22335 15603 10393 8119 28485 20119 36447 20041 23195 31327 22556 17143 2358 64668 22415 5451 4897 12122 28944 11378 13180 2283 13788 53967 2209 12926 12959 25358 91255 4397 18275 3473 19154 14547 15807 2885 13395 13642 17957 6181 10012 6894 14768 parabanic acid 2738 3519 2929 1442 3775 1409 3132 2598 2201 1583 3219 3861 4023 3497 2048 3534 3182 1736 1337 4679 4072 1964 4683 2430 1450 3690 3145 3472 2403 4619 4163 3104 1319 4304 2060 3605 1838 1610 2496 3733 3656 4267 3992 4038 3958 2415 4611 5822 3739 3768 2821 2237 4392 4448 3110 4821 4412 4822 3395 3974 2117 4477 4450 3944 2271 4959 3546 4444 5275 5040 5326 5618 2514 2475 2474 4074 6348 6175 2794 2802 4291 5813 1476 72 2019 2752 1594 4523 6119 2936 2084 3344 2753 3586 3037 2298 2927 1448 2876 2544 3403 2627 3950 7202 2364 2976 3311 2668 2638 2095 3586 4904 1836 3777 3977 3078 3880 3492 2645 2574 2773 3079 5002 4633 6709 3644 2357 2717 818 4731 2079 3746 5079 4932 6064 3341 7718 1141 3360 3243 5233 3478 5372 4105 1455 3063 2960 5784 3271 4707 4336 4753 2159 4574 4533 3546 4815 4104 3418 6052 4791 2323 3038 2075 5213 6486 5588 9886 3342 5599 2444 5642 2549 6170 6218 4884 5309 2270 1033 4608 1400 3707 3217 3307 3168 4362 7895 1379 1189 1999 1544 1400 3299 2368 4964 6491 1584 1060 6194 698 2927 2696 1558 2981 2836 4052 4797 1326 1418 2986 2891 2003 758 1121 1171 3402 2768 1127 5694 1557 6612 1409 1787 3602 3514 2043 5091 3460 1423 5208 1059 2478 2615 1688 3026 1280 1175 1888 3977 730 1886 771 1237 775 937 1309 979 3576 2444 1552 1350 868 1385 602 2897 995 686 509 580 670 1127 2107 1678 1049 2519 954 1929 1035 3469 1314 1432 2546 792 400 2047 1043 1205 1013 6501 780 1718 926 815 1128 616 1508 3703 1336 919 1524 2457 3158 1197 1777 1117 1264 2777 1421 1158 953 741 785 1978 892 898 1201 1173 2762 2348 1523 782 2799 801 908 563 1705 1069 959 1243 360 1991 784 2096 539 1229 2010 2621 1301 2160 1351 1684 2702 1431 2206 1360 826 1831 2990 1296 663 1500 2179 3371 2941 2302 1499 1461 2175 1779 1131 1844 3121 798 1948 1080 1313 palmitoleic acid 1718 1215 2441 1789 935 929 1185 2676 1745 464 2840 750 1176 14109 5701 1463 1103 2179 962 3457 1579 5076 2249 1806 725 2501 9652 944 2640 1238 2865 1802 508 3148 3482 1472 726 702 2280 1030 1584 813 1501 1859 3092 1467 3755 2131 1835 565 1863 1913 2538 283 2679 633 319 1088 1101 7403 2102 6525 2048 1623 1295 790 1001 18052 922 1843 1951 2475 1060 2803 1266 4009 3576 182 712 2521 10967 1589 1030 0 6681 1273 8081 3477 2024 335 1416 1523 1131 622 2102 484 5234 3711 3328 2661 2956 6915 938 802 5075 4011 1877 3065 3008 2630 3871 1207 2694 3059 12179 2775 2416 4093 1397 2010 2128 7635 950 2596 2999 1973 205 4237 1606 717 2324 1762 944 2170 2065 834 1575 5100 819 2922 846 2547 1943 2858 5199 197 2377 1793 1501 963 2266 1055 1238 1581 4170 3976 1577 641 3028 648 4951 459 1356 3162 721 2825 1281 738 2466 2771 1147 377 1497 798 677 2308 4237 1561 1836 1794 1220 3425 666 1058 2868 3102 2805 5821 7246 1202 1644 176 685 4716 2181 1148 5308 2954 1770 1526 3045 1401 1735 2205 2187 2326 945 981 6212 889 3002 1791 688 922 1826 1394 4528 1354 584 823 2118 2665 1126 2511 2040 2525 1314 13741 2367 1494 2151 1476 1601 3715 823 3900 4407 1223 2521 1730 977 441 2267 3841 909 4153 7141 637 2154 2746 2530 5841 2895 1271 10960 1973 4442 1799 1099 3007 3933 908 382 1371 2094 5787 2126 1534 851 5059 1745 6792 4701 1114 2142 2171 3530 2496 2149 1148 1157 7973 4802 1648 6934 3761 4728 491 5320 11241 3628 2559 4215 3149 1340 1901 465 4058 1863 959 1725 3517 923 3102 2118 6956 1509 2424 1385 1122 488 1585 3885 696 2166 4449 2562 2818 6060 1761 1275 13720 1959 1938 1726 1594 670 6050 1132 982 8921 2396 228 1551 1818 3627 577 750 1781 3342 5637 869 3504 872 3234 1913 1786 1138 2193 3063 3187 2332 2633 808 4994 4131 palmitic acid 75538 80776 94005 94652 63589 74163 66302 110347 90125 55883 95631 54029 74679 200695 157192 83364 84744 102534 58859 89418 75652 115726 94348 100168 67486 73932 181784 63386 84288 98322 102955 64915 65762 88653 104832 89396 57724 51825 118040 80441 82263 95317 58806 89136 83590 73915 136303 88480 97619 57032 112283 89042 152324 59399 90222 66973 52096 80639 60278 165060 91340 183944 88522 127746 87468 74261 76849 210920 85042 93034 101232 151781 46264 114645 73693 121188 103593 76263 71559 110070 186167 81861 225602 102235 141930 84617 159230 113243 65734 48875 69652 73999 76834 72330 80240 99772 123605 103023 110205 75026 132920 121690 79309 80451 132931 103109 99796 93056 78806 108517 125920 101043 110586 120739 154677 97323 75838 121008 118889 92816 86719 132946 71205 94700 129769 70779 55792 109990 112834 88819 121547 97638 73487 77561 86546 80375 109722 108119 90082 128357 89300 98198 77201 75816 148065 52401 122832 86578 89557 91320 98916 76674 90280 87754 114454 117728 93788 75931 132366 79334 192976 66720 125076 104259 57330 113115 72688 95916 106804 136130 117563 55653 99236 69507 95973 108712 114423 95609 108898 93922 106273 195956 83253 78830 95014 115508 122989 139326 177045 114085 84772 61924 69223 110568 118826 75207 138843 87580 109507 122773 109691 81630 97812 94596 106352 101970 88654 80626 177045 95831 120988 95811 75906 79830 112238 91931 101447 98551 74734 102031 129608 104486 90608 127481 159607 149223 89374 283870 88696 95918 86084 88341 154682 131861 71223 140464 140842 127094 111106 106433 100261 65048 121760 105654 79896 121769 180478 74516 94945 80969 91487 133813 165169 87862 169981 94631 110132 81059 80241 136403 132523 72945 58550 139880 94010 122148 80596 123882 69090 149999 114645 143912 107080 75528 79073 85730 98825 94556 85840 111321 101625 184413 147718 105064 157813 99330 96569 64921 133217 215657 102174 103667 114016 90646 99274 94191 91521 127593 74486 84477 123883 86624 68637 83348 83875 165794 84034 150245 91679 104768 61559 67991 102429 78774 80989 131784 132646 98380 120295 95256 89585 167622 82275 99084 81944 78232 92013 148503 97533 92227 168565 81732 59094 86311 78860 87397 90047 92540 79268 145560 144334 110217 130379 89639 141918 85409 97912 95550 87013 170350 130889 160724 115537 87039 162199 157183 oxoproline 287341 262802 348416 478511 324340 550382 304718 215092 305714 427466 284090 309915 296448 445590 188344 454080 262254 397745 402146 313666 352063 386645 401859 365648 375772 387683 349234 332282 330149 319253 371148 281757 431917 328058 371017 405609 237491 518927 338886 359270 463278 357780 468686 317467 392586 372741 410432 466358 278855 237185 500610 355827 359397 350710 391412 353587 375103 380587 305467 254597 419378 421633 501453 364368 339598 435916 229651 373425 516895 329987 341808 210325 243226 318160 250612 307896 270915 445510 490330 263972 392276 280998 131366 309317 250974 283028 262681 436107 322614 300988 320041 359519 279239 354382 417881 243311 341361 240573 398612 314899 329533 306697 258215 377016 294142 290772 404421 333920 413201 337822 259339 364079 275333 335453 363061 329561 309786 280166 355864 356824 307711 418162 254559 282816 439175 384764 359924 590264 334440 318772 275278 305983 315834 293139 397931 389390 446469 345117 328035 252898 324081 335014 370508 330409 262367 342066 312351 432906 321878 482704 296509 343387 297494 335185 394054 358403 364906 292294 311216 381984 378935 314398 406665 332879 282997 428632 294213 413564 447831 315877 215015 315155 272604 375776 330256 251546 352753 277620 292260 333385 360841 331606 329492 431381 310936 276537 297253 358725 292122 348510 373502 427577 449935 245944 302782 293695 347081 283662 435364 317673 339838 338139 199798 374905 283548 329638 311116 411127 287283 414923 390806 218885 327770 314596 288189 362766 357968 386161 362023 350777 371214 332138 333760 261450 318968 214605 438686 303469 359540 327785 220630 313918 338038 289353 337663 433997 410763 400207 431253 267613 249254 401294 301633 343604 232487 303419 297970 370106 271482 315352 295472 245846 271861 284048 367390 295216 329913 230791 349193 299555 287117 246872 229389 300567 402303 289238 300517 230208 377342 319539 254969 334065 256030 273840 272816 296929 269618 223638 328819 254734 221552 341490 347624 272950 288178 320409 389212 254222 376617 228193 264389 300041 346946 222966 269963 274656 320924 303938 287124 285039 375496 244593 256475 331707 340483 236661 246012 279373 305379 324830 301230 289762 308337 363278 267020 343007 294187 341302 311390 240557 301384 304414 340979 279369 247264 376613 364379 310591 268774 226237 339380 298432 191293 284526 404374 211754 326153 230043 257352 322921 326312 310376 292794 241267 241523 350913 246217 245112 254822 389072 321801 284770 252912 221306 342696 341509 ornithine 158781 161015 121008 129088 144281 194488 153912 118588 137162 180250 145672 139937 125906 138427 91928 240131 209884 114667 95189 180109 153010 106338 132417 173844 122186 166497 148527 137261 123893 127854 126555 193330 86316 221705 126431 200908 115629 103228 196760 199081 145055 122144 159492 136631 148382 136960 127128 134925 168503 124607 98812 156520 258872 85879 128483 145400 181863 167621 180289 139778 154983 96382 183888 87831 105221 185997 87687 153023 195914 140779 153745 111179 151006 142203 100017 138880 133165 224050 161151 113659 151413 158913 28176 155232 139423 124562 134921 125645 167888 167045 116370 140060 100288 117616 156526 159169 158932 205294 129969 134728 111100 145585 89927 144149 63742 150036 127241 143485 116232 138297 129185 127044 68763 112004 136712 133403 97006 120343 109392 81976 87223 121900 143105 110006 103843 151156 97347 100308 83129 107871 86506 146553 157943 196231 122566 167422 84105 144833 79164 140620 102543 180762 111365 169726 169867 119645 121446 161874 134858 118988 107517 153287 92149 146025 88818 87524 127277 128776 113090 121852 104659 110457 131970 83666 152205 125955 127266 139390 101491 120149 132211 95723 122212 128233 119527 135509 107806 127305 117819 180625 119082 112517 109368 95007 107388 93872 86030 128924 98675 124204 109250 129834 126128 88027 86044 98717 123830 98740 120373 103091 122697 175255 92170 166585 117054 127678 117285 135906 94705 116567 170484 97788 131004 184318 128142 103140 84639 95623 93311 99868 112279 145308 132871 101983 94260 98326 136293 71350 112028 109029 107155 120274 91788 150276 178768 162273 117567 99753 140148 100247 88852 129473 103149 175684 123847 113212 140639 108357 115081 116720 112821 107232 86526 115918 143157 151443 100508 170071 131071 105271 138223 122128 68269 109330 175178 122042 136155 118165 125335 110371 85003 139264 122343 101596 161149 99715 138463 110606 148388 84937 65375 125376 161192 141922 119916 145429 157123 85028 112744 123797 111067 121747 126210 82826 86489 176487 126159 123832 157254 127996 95408 129136 194848 113641 157327 76977 132646 121708 172946 140210 130618 138242 113004 119524 128240 154694 122151 107641 96903 109602 104209 105944 117432 99570 132718 179284 111309 159247 133772 114302 88553 134313 119973 117959 160328 102329 73967 112572 119783 135041 134419 37946 171069 97653 105941 127724 151695 102361 167865 74241 124945 137753 94502 118093 115637 93039 octadecanol 496 473 524 602 488 426 510 570 517 397 490 463 578 772 561 508 456 635 502 821 551 603 759 416 486 675 511 535 510 597 746 423 523 531 691 642 427 490 464 1222 540 667 505 620 509 611 572 1588 557 510 445 432 827 446 473 640 502 556 481 532 493 563 1001 551 608 671 485 467 867 542 721 602 457 1109 465 593 930 718 530 484 1322 660 3376 0 361 630 563 657 586 378 534 745 528 500 1086 653 1250 440 511 555 706 469 565 1048 591 654 658 639 463 1021 541 1584 564 529 628 706 481 480 1462 518 576 686 1187 649 801 622 688 707 674 594 518 1280 895 1193 578 576 862 708 461 457 792 585 598 699 1008 477 555 744 544 747 512 590 844 1460 671 661 636 749 618 591 830 570 478 582 430 693 580 925 845 1619 561 915 391 672 742 548 732 610 537 770 740 1169 560 539 487 758 692 598 1472 610 600 775 803 749 503 706 707 1297 579 243 713 859 652 812 631 732 743 687 562 606 710 481 814 688 748 1640 676 604 1021 671 613 629 857 671 708 813 652 580 609 607 527 757 1899 666 708 688 737 819 668 1074 692 649 1227 560 476 683 764 828 737 645 641 625 801 631 673 622 636 504 601 713 725 522 474 574 684 488 562 760 863 1218 577 519 432 546 639 523 598 624 594 569 581 716 602 603 607 1367 503 744 503 779 701 722 749 527 822 650 971 618 518 523 869 613 627 1025 618 922 477 702 683 674 543 641 539 597 593 572 636 856 611 541 651 548 655 657 674 546 653 686 673 584 606 654 574 657 547 489 32 578 624 605 773 482 1059 718 611 650 446 478 569 938 1116 1198 759 656 687 975 naproxen 208 414 240 181 399 71173 279 184 153 311 284 232 279 255 40761 4100 17471 164 114 258 269 111 264 399 148 8459 445 212 244 191 265 265 113 594 179 269 143 190 492 300 247 257 260649 279 222 321 158 208 248 90 278 267 267 390 246 296 199 246 193 190 449 218 261 201 244 282 270 327 264 170 244 203 146 193 39559 154 3106 378 504947 201 330 198 180 0 240 193 172066 62 261924 223 235 459778 126 26913 329 287 245 194 185 170 202 84377 303 199 93 340 254 355 63859 239 166 260 121 218 227 409 137 95 242066 153 212 152 75 171 89 300 281792 219 124 260 100 216 228 250 168 445 101 184 134 335 212 210 314 2973 292 154907 215 588 198 203 161 227 157 165 163 167379 208 138 111 515 159 29089 16202 11068 129 149 149 451 224 201 183 182 219 205 181 231 206 277 211 246 268722 109 326 161 235 2314 188 265 203 186 228 288 282 135 271322 146 237 5990 115 87 202 201 280 255 195 142 281 234 171 184 173 221 257 6125 202 186 256 175 213 345 168 276 299 145 121 281 163 137 279 154 246 308 350 268 315 4289 210 148 174 75164 243 226 226 347 276 113 50654 189 282 220 2547 215 126 248 135 251 88657 217 270 279 325 250 153413 218 323 159 201 170288 241 226 142 157 187 219 176 186 296 275 163156 133 20931 146 107790 25697 289 184 269475 153 155 182 280 139 149 118961 201 313 380 184 142 117 233 454 247 590 213 122 7173 234 284 280 110 203 244 300 15315 198 106 189 175 217 216 232 261 12511 222 236 241 316 113 165 160 292 307 34437 254 201 108 184 301 279 305 106 173 153 236 208 278 8167 195 128 254 216 261 276 8050 90 N-acetylmannosamine 356 327 204 232 491 192 156 378 198 120 202 155 216 289 146 184 278 162 195 163 410 297 143 400 213 279 128 226 426 326 291 362 280 333 263 279 350 162 382 257 366 171 387 274 193 229 504 812 190 297 198 350 387 726 443 514 250 475 284 272 596 1480 404 278 299 275 720 475 163 303 310 143 101 407 297 309 307 315 163 160 627 361 175 0 404 297 293 250 293 150 340 304 182 197 215 308 283 299 343 551 270 452 312 101 350 356 301 159 528 330 291 217 249 367 282 558 312 266 327 233 132 322 204 389 157 355 213 192 318 285 241 261 285 487 133 427 494 531 861 319 391 226 95 345 340 182 369 427 389 258 149 412 275 225 352 265 410 176 241 1254 456 275 219 236 217 211 197 1446 257 179 384 239 233 241 250 254 132 525 347 215 355 224 83 478 575 327 332 242 519 263 218 110 464 376 321 115 362 178 183 258 214 322 411 321 244 289 504 377 326 289 356 136 387 239 446 230 399 1386 250 327 414 258 285 657 504 576 191 301 341 255 4092 410 179 358 288 262 263 292 263 437 507 250 308 202 733 431 335 341 285 277 306 304 140 478 307 234 2795 245 303 591 366 681 538 176 135 202 164 440 271 345 550 411 51 429 203 503 489 335 377 313 713 279 367 453 524 202 373 321 319 546 390 640 203 351 318 233 590 387 347 654 237 406 280 410 301 597 579 424 266 263 463 203 1060 144 306 415 319 247 349 1014 289 318 226 369 501 212 251 194 211 597 614 350 306 397 941 369 313 517 354 538 536 730 390 378 243 372 561 432 363 232 289 502 322 521 422 342 n-acetyl-d-hexosamine 171 267 198 227 396 336 220 504 212 120 428 241 181 228 377 236 194 286 157 327 459 245 392 296 179 202 221 272 204 170 276 167 262 200 138 330 204 267 348 125 351 196 153 366 208 254 260 282 340 151 282 298 393 426 393 361 175 339 179 243 335 67 956 425 362 117 411 347 220 253 260 230 190 252 326 283 373 181 261 210 268 25 165 0 159 231 196 363 227 241 201 292 314 312 141 224 265 298 347 411 149 211 224 404 342 275 156 307 413 200 356 260 281 344 197 372 371 389 220 347 304 251 355 363 280 335 176 300 229 299 152 248 265 264 175 341 249 259 248 268 362 271 346 301 124 243 165 393 459 241 264 149 167 163 325 666 316 212 359 238 418 259 163 194 279 301 341 285 200 237 360 391 316 219 338 278 204 445 332 283 538 289 282 475 384 366 235 233 383 356 192 541 470 182 419 291 229 462 316 272 240 300 332 284 266 272 165 360 293 199 361 341 293 306 288 328 391 206 348 250 1025 419 193 325 335 280 327 198 1280 406 564 302 197 404 380 341 226 321 283 202 227 338 335 215 459 327 423 385 474 250 787 527 340 230 418 254 382 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3294 2692 1913 2907 3567 3835 3616 2389 3369 36476 5956 3749 2532 2814 3220 3214 3768 40076 4529 3522 3133 3344 3135 3083 2473 4121 3314 3769 7656 3322 4216 4124 3672 3774 2994 2660 3384 3399 4223 2573 3628 6372 4628 2890 2724 3030 3760 3541 3149 2167 4073 2247 5727 2799 2853 3016 4959 3683 3315 3383 2780 5432 3345 3187 3250 2938 3066 3876 4553 4271 3779 2418 3074 3644 2795 3089 3122 2906 3141 2985 2559 3404 4402 2777 3020 3231 3877 2854 3162 2983 3839 2997 3065 2923 2319 5160 3307 3405 2614 2668 3266 4004 2495 2801 4757 4623 3132 2249 3180 3382 3529 2763 3250 3287 3601 2688 5396 2990 3703 3975 2476 3326 3239 2525 3445 2715 3373 2794 3468 3064 2964 3199 3563 4089 3837 3385 3304 2683 3158 3528 3006 3578 3730 3141 3026 2627 3397 3503 3135 2383 2944 2881 2760 3769 3841 3369 4396 4126 2395 3657 2436 3602 2820 2802 2974 3147 3732 3608 3211 5196 3335 3312 2684 3707 3350 3799 3908 3380 3510 1655 3210 2648 2393 3598 3491 2478 7233 2097 3056 4205 3086 8431 3262 2909 3029 4080 3160 4307 3069 2880 3825 2931 3415 4608 4430 4860 isoleucine 153617 241936 210908 149395 194424 172069 148305 240749 152696 233185 190123 171237 177328 152565 225182 223100 264717 178195 242499 143279 203727 168957 184372 201100 162253 185245 136232 277853 181834 220900 165509 214895 272845 192875 173798 164360 236897 187780 158266 144208 193359 229699 209086 187494 176202 204873 219128 190112 149622 215906 207800 187292 178114 152780 184328 222340 176125 215148 175958 139661 166998 206996 167506 191932 189358 166240 143644 162266 260210 216573 224962 270284 147226 190769 167072 221279 226607 185341 198336 193154 171230 220762 61599 467402 140991 215424 163715 225123 183692 170713 174937 180630 190958 208242 197599 197359 171778 186366 132220 149376 171694 186386 180457 260246 198248 169085 166054 181340 169129 164481 155831 231042 187571 206440 133893 207627 226740 155727 155932 231091 186723 99360 289409 202973 187437 211061 206336 173731 192795 139808 179244 185379 225821 251078 187978 135275 215592 202644 207646 189146 165843 141899 246751 204864 207217 182570 169673 142400 209051 152019 178856 243763 236047 156408 214222 236696 235548 181640 166822 176101 181904 226223 220185 176751 409234 243971 191825 140286 184517 153306 188974 258572 230179 221243 198102 202541 175899 213654 186661 167073 211203 260407 265124 175163 159810 237101 171851 165218 219362 236760 215539 218175 314245 131046 215234 236799 177183 180581 177787 271490 204264 189133 175132 244279 148472 133932 322543 181352 177810 203546 218627 199523 261526 214461 190290 191294 231640 185347 245053 214206 222082 195653 203756 156023 156737 207443 211138 187212 220670 259279 192590 177284 191769 159647 249690 136991 175461 199116 214746 192982 183807 184016 199900 147343 213709 169465 124809 137264 191811 148584 161516 232225 203632 201135 191246 293275 185648 282792 170635 209268 169866 188833 159331 166469 165505 301217 201634 225416 161079 185090 225749 205954 227792 184015 192276 107901 166994 159248 237438 132100 149881 268540 180985 206156 155598 230639 218360 204068 177262 136372 181060 267129 193367 136773 210477 223811 251390 156616 196168 186485 151910 201692 210465 236604 170033 179858 253098 164656 226788 188724 258569 190036 183217 185651 218074 180615 205367 220897 142313 206454 211733 174534 194701 200914 190175 164471 251252 189074 237872 195887 182811 175628 303612 190322 220144 170565 307865 224311 176074 158926 206393 228337 194646 155514 172383 199416 169211 329482 207725 206872 180784 179766 207540 280403 177875 241220 isoheptadecanoic acid 895 782 900 1299 968 2248 642 920 1076 935 1067 683 473 3450 2285 1311 834 1093 776 1415 631 1440 1371 1314 289 996 2998 748 1163 1069 1884 1088 948 1535 1088 1630 1223 1192 1655 1140 962 971 5709 821 1395 887 1525 1154 1450 444 1007 1059 1828 2205 1217 1415 193 718 827 2602 1240 2418 818 1310 940 758 3921 2387 748 709 723 1540 927 1341 1819 1591 1909 595 2378 973 1457 1000 1856 394 1630 1100 3098 1470 6025 284 984 9961 866 1329 697 1256 1935 1295 1002 692 2284 2890 881 421 1260 1605 613 963 504 1789 1158 892 695 754 890 2199 446 1629 6119 1051 629 1074 861 382 667 853 5902 1650 1972 1634 1074 655 765 892 765 1063 726 1240 1967 934 1128 1180 298 1453 1190 3647 1020 1006 925 455 1418 824 1356 1462 726 2745 938 1146 1356 1082 2151 942 2048 1746 610 708 319 1600 997 1282 2071 249 1498 786 1436 996 1009 2083 1079 683 5861 1658 1210 628 849 1288 1876 1475 1940 946 661 848 1135 645 6607 2063 2033 1126 736 950 1541 1159 1665 570 1309 953 743 689 1568 290 1374 1764 466 1097 1130 772 665 1353 567 939 705 1188 853 829 1653 1299 440 3329 1476 1559 4552 706 587 1704 799 2613 2071 1276 483 2367 370 774 1199 1927 1052 1639 3480 446 784 1168 1339 1660 1799 999 2089 962 2725 1283 744 1056 2023 1067 3831 1204 2578 1424 741 4518 543 2537 888 2252 1506 581 957 1779 1683 1135 3986 1688 2595 2253 1423 1531 1927 1370 6313 966 2353 2198 895 1187 1491 4038 1101 1130 1698 2110 801 2097 761 1593 938 1211 674 2453 2298 1716 761 534 1416 955 1828 1229 1153 1693 1377 1122 2151 2543 712 1837 589 1459 806 169 1343 1435 1056 1142 1591 1189 1810 1569 826 932 993 1195 1562 2079 1831 1916 1289 1758 699 1264 1265 1681 2319 1452 588 1269 2013 1738 1523 1607 inositol-4-monophosphate 485 1188 576 672 453 639 688 741 488 1007 900 1211 991 376 458 550 723 941 1237 618 855 989 1031 781 569 482 382 790 846 590 658 822 1235 436 744 929 690 1264 705 728 668 521 729 806 530 540 1398 1359 644 599 568 1014 854 711 961 883 854 882 717 339 484 595 1580 1294 1041 807 724 845 1330 675 526 500 349 621 941 1114 637 659 701 669 673 588 1586 0 932 674 921 1097 381 813 1133 1002 784 859 804 901 587 865 957 877 1036 920 589 729 991 1159 799 576 1044 1194 737 569 1705 977 1233 459 1522 1120 1388 1223 838 1074 554 1117 802 1035 1292 1035 1105 769 612 717 1824 949 1255 1037 838 1230 579 831 1009 975 1360 708 788 976 570 1412 1038 501 648 786 608 817 1253 879 884 896 524 2052 1124 847 573 801 745 1028 669 1824 1394 1119 1906 773 506 661 953 558 937 1368 475 719 2124 928 1023 670 723 703 807 578 1120 840 362 934 1008 1091 467 868 937 1093 1263 812 443 970 747 1008 685 881 768 1174 1196 1572 944 752 1123 651 796 588 775 821 741 965 1097 962 1277 854 1417 1029 658 936 771 1031 585 493 899 884 1416 1094 876 855 871 922 574 629 642 572 925 1352 689 1106 520 789 803 759 1207 938 576 830 597 1493 617 669 1220 813 368 550 804 934 890 814 1236 485 1280 611 647 1286 1283 1064 967 677 1142 744 395 1111 982 783 844 994 899 1294 738 1062 718 1156 1412 517 1111 898 959 948 616 921 784 674 821 1267 1372 1050 907 760 786 601 995 834 1523 651 666 786 840 1260 819 975 819 853 711 953 908 500 1375 639 610 444 835 911 518 874 704 464 576 549 593 676 648 928 908 613 937 749 788 833 900 589 1134 1071 1079 854 1147 671 inosine 137 541 678 161 275 50 120 3860 7104 217 1110 2701 1335 1849 2810 709 90 368 1623 2027 1461 1962 2869 545 1841 5722 3365 750 943 3876 3294 1469 1851 861 5512 6122 1248 1682 1367 2378 2392 4258 807 561 4485 248 2703 2245 10441 111 4526 118 1151 2340 600 3526 768 255 1102 97 189 1551 588 1398 2841 5312 1003 144 3674 1628 1381 2372 1410 495 6294 1436 1761 3016 4834 1714 153 1057 705 0 1066 5058 85 618 1541 515 1800 2399 1884 875 1177 1584 709 94 2408 1752 5830 214 3554 1743 1807 2460 4378 172 416 3288 4363 917 439 1756 7577 2468 1044 1920 3885 485 1670 6978 701 1048 966 315 1616 1896 669 2612 2103 1628 786 4211 2890 956 2343 1836 3829 2123 5695 2312 9686 336 2855 3384 10590 1040 954 1338 6760 6271 5192 5276 9921 667 115 1387 5065 1088 6036 1501 516 7339 1687 770 747 303 6904 6961 637 713 476 6559 131 4954 877 4311 2130 1549 1565 5208 158 1251 725 1277 2989 168 3743 1568 843 3551 1318 779 720 4059 570 1503 126 2741 576 2976 1834 1212 2434 776 1206 2082 2966 1070 12693 1656 1080 1828 3101 658 2557 3336 701 2951 889 590 1459 7683 1830 2509 2393 2128 141 3883 1672 1091 3501 217 2551 1506 1671 3730 1108 3056 5115 2473 3313 968 638 653 537 2681 439 1780 43 1777 2505 1121 1316 67 2133 269 1501 394 1495 740 539 3872 1041 158 273 1079 2691 67 547 1766 1755 1130 23 535 1704 53 589 2744 517 74 98 427 1036 516 243 385 837 1240 1158 386 454 22 197 517 5090 773 89 111 2373 414 154 1236 54 118 469 2347 399 1052 61 1582 613 2059 276 146 133 53 2292 218 151 2065 487 252 3229 1098 3347 1707 4102 2000 2588 1635 5543 299 795 3205 796 3761 3384 2275 6888 4177 645 4177 6027 2249 1382 1775 501 5241 10622 2565 5716 645 9405 4051 indoxyl sulfate 577 398 445 652 815 626 817 643 447 960 848 658 868 292 535 1012 353 927 1980 438 1762 1001 1251 698 613 452 381 283 819 411 829 890 1700 349 710 496 442 513 574 573 610 635 606 684 885 890 844 601 310 421 747 1176 510 1633 451 1013 773 728 1840 421 748 383 414 883 2234 801 1909 455 1004 1125 533 353 657 470 624 321 721 1251 895 495 488 515 600 0 330 673 411 498 545 304 457 590 290 585 489 313 376 602 522 438 600 467 681 715 157 785 610 492 996 739 483 404 179 634 355 1079 583 672 675 393 501 202 601 613 795 605 524 576 357 589 694 487 1196 506 662 875 914 478 562 337 637 651 2126 447 527 544 434 887 405 510 446 353 319 651 742 785 361 473 1367 21606 325 571 293 573 1480 668 389 14815 537 452 377 471 288 524 459 1280 488 464 783 595 329 559 583 1142 565 405 624 750 692 1780 750 544 1297 705 223 562 697 606 682 1954 631 702 318 716 528 572 880 477 329 578 422 471 830 559 502 725 661 461 712 1675 689 681 516 474 684 815 545 308 481 1066 424 362 1989 554 515 712 657 783 564 523 517 1015 536 878 473 1448 611 819 510 513 821 489 173 520 996 747 399 409 711 470 833 424 1081 630 892 718 1782 474 379 1425 229 379 562 615 637 524 792 444 361 432 1082 865 248 427 653 429 369 1424 185 700 656 1059 242 417 679 488 970 791 489 777 434 935 937 2623 1140 560 645 1148 742 726 962 1113 1354 915 779 375 849 704 1382 1422 1410 685 1022 1051 485 388 1797 852 676 467 404 789 781 1012 522 634 1421 356 519 465 1144 2013 1298 591 360 1127 610 685 803 471 427 805 571 816 453 411 indole-3-propionic acid 1741 3141 2474 1613 1621 2503 3196 3365 1241 3133 3857 6757 18723 11043 2563 3187 401 1827 4068 1170 8288 1849 13606 3281 6139 2422 15236 527 1865 2826 1388 3211 12716 3686 8045 1472 2102 7731 4258 4884 1592 1508 2612 2058 1556 2169 2938 9732 1403 2186 3005 2638 4905 1985 1258 6622 4159 3065 2038 3504 6202 342 9083 2340 1106 4010 4645 4986 3471 1781 296 505 1019 6548 779 915 3514 2693 1030 5274 5836 425 340 0 6819 1920 199 1813 4540 1158 5912 3253 4619 1784 2865 3093 7079 582 2788 3327 2910 992 2447 6305 1116 4639 1265 25472 1383 2675 1879 8556 1423 3842 3645 31597 4835 1359 2430 738 3243 4449 188 4066 1902 147 1187 3085 551 1583 656 2544 1883 1111 1597 3094 1763 272 4637 2102 2723 10653 3400 2994 716 690 1077 3280 1620 1600 991 6095 1517 8659 2235 1497 7753 649 2455 2187 5071 1874 1077 1383 2823 625 4267 2150 6021 3255 494 3815 421 12795 621 9696 3007 860 1018 3024 624 2837 2088 852 1066 1306 3451 3654 3995 1973 2254 24844 646 1188 681 676 4056 1586 2493 1488 4249 2132 2471 4074 1924 4453 401 17390 952 1993 1721 2920 8740 2610 3087 3713 1732 6901 503 4615 996 822 1963 2659 3221 769 4435 2037 9705 825 1910 8508 3203 6157 1028 18977 7622 5897 6339 1227 12209 6102 611 2055 1608 6619 10358 7489 9603 5013 733 2670 810 3698 4717 7080 4594 230 12668 584 1794 3414 599 4840 2179 2030 4076 1478 6297 2732 1218 2899 3428 3147 4341 601 2290 1240 1600 6147 608 2112 3426 842 5503 2457 509 2737 4925 2432 3113 896 3410 2882 2534 4249 1515 7264 5481 722 4982 3712 1696 2510 5570 1667 1197 3105 8664 8166 811 2610 4583 5328 1683 7352 4343 4803 2349 2234 2542 9158 3097 1159 968 35330 3378 5978 2642 451 1485 2459 3026 845 12108 1799 1118 368 1278 8148 1515 1193 881 1584 537 1572 3876 216 648 4227 1250 1952 2445 556 736 2214 indole-3-acetate 4613 4689 6974 3264 6635 3462 5411 4391 3370 3415 7695 9562 8159 1744 4741 8310 6600 3233 6309 4105 7697 6072 7729 4827 4560 6595 2688 8752 3519 2953 6435 11127 8054 2074 2704 8184 5092 4957 2875 4554 7992 3286 5178 6379 21157 11484 7210 2768 6370 2126 4555 3143 6308 6629 9895 5490 7646 6265 2556 2394 8059 3829 5429 5124 4565 3769 6087 4140 5968 8764 3951 1586 2067 5101 14055 2044 5064 4375 3186 8343 3694 3086 1766 0 4555 9229 2241 1882 3311 2747 4988 2931 8255 2840 8596 5825 3755 2528 3805 3751 5899 4361 6697 5689 6209 5945 10069 3133 2505 3998 4098 5181 5756 5666 3406 3930 4394 9339 4080 4925 4762 4435 2419 3998 3871 5589 4758 4641 3986 4508 2487 9213 7914 3920 2411 11150 8076 1632 6136 2739 5123 4284 7546 4311 2681 2269 6198 14163 2995 3480 1771 7858 3537 4827 5241 3793 3243 4151 17354 7152 4939 6145 3538 2810 4289 4842 3225 5104 2941 5016 9786 5232 2912 3913 4866 4864 4661 9351 2566 4591 1577 4990 10417 2715 9280 4666 4641 4118 5639 3297 5924 4298 5532 6798 5592 6373 2325 4771 2065 2783 4232 5272 1924 4819 1789 4431 3806 5480 8756 1926 3119 4420 5338 3339 3177 6751 10836 3491 3011 11530 2651 1687 6525 19069 3346 3496 4213 4021 10181 3453 4620 3297 25443 8159 1826 2933 3567 2778 4102 15311 4569 5943 2024 3413 6802 9441 3533 5439 6140 3339 2665 3864 11188 10428 7766 3201 2932 2027 4530 2589 7245 5000 4828 8370 5616 4194 5897 1934 4835 2479 11642 3616 2192 9877 2983 2002 4950 3630 8049 12617 4046 4850 4266 2733 5124 3138 3421 6233 4773 4442 5009 10474 3003 5398 2503 4007 6123 5585 4764 4088 5338 4424 17486 8707 13443 8544 2634 5918 3400 3899 2999 5955 7656 5327 4309 4454 2440 7875 7325 3061 4882 3359 9138 3929 4099 2160 8365 2539 1252 2136 4975 12210 7825 4763 1562 2330 4760 3432 3921 3862 5842 6099 2603 5030 3410 6668 6778 3699 1509 1534 2855 4524 7885 3083 1938 1934 hypoxanthine 5140 4978 6310 8120 4700 5445 4981 8789 6528 3470 12461 9532 4923 14192 7969 7966 6747 5182 4420 5327 8799 12119 6881 9436 8150 7917 18131 6997 4889 6111 15688 6991 3023 5556 10106 19503 6782 11991 8935 8865 9719 7266 8359 13608 8519 9384 11286 14198 10769 4780 11609 7599 10023 4578 8474 11719 6574 7492 9867 3876 6452 11463 29575 8926 7841 10149 4694 6477 8663 14741 5784 7524 7286 4495 12517 4763 13324 16605 10186 15291 5878 9922 1366 8271 5934 9506 2562 4729 6822 5449 11415 8922 10408 16099 5549 6477 10897 3346 12162 11268 8425 5236 16939 18991 7328 8792 7702 4695 6249 11270 10064 11220 5574 5572 13990 7305 12283 11441 6794 8974 13536 10115 8302 6059 6253 7113 3736 13811 5478 10263 7909 6155 9382 17372 12522 8211 8435 5668 12451 8994 6430 17155 14023 11390 15720 13093 12315 10342 15702 16422 11147 8176 15134 13447 12137 17270 6428 10434 21115 5763 12801 9338 7424 11105 5815 10034 5689 5601 8904 9007 4807 14194 8129 15970 5587 6399 12954 12983 12795 10927 11767 9764 5875 15340 12359 9484 10737 6625 13818 7682 9346 12364 12794 10049 6120 12576 7346 10688 4216 10234 6976 8368 6511 13673 11858 9580 7567 16466 10701 8312 9724 8031 10496 14690 18849 9800 18880 9971 8822 10119 16061 11270 10217 13647 17930 16292 10506 8890 25294 10629 11334 11864 11239 8421 15063 10099 15967 13227 11198 16796 15360 18946 21776 8072 11775 12024 15271 11374 16492 14455 13493 14634 3963 11848 15810 7326 27493 8235 17893 13167 11405 8659 13147 16981 13504 11900 13002 20027 15503 10509 10715 10879 14332 10030 7033 11351 9879 12405 8562 20058 12954 8270 10210 22927 19122 16071 10814 4466 18168 13227 16829 7661 13826 6027 7503 14683 11126 14514 6123 7249 15336 17348 8033 19555 4123 4621 15185 12105 18793 15789 7594 14677 10059 12587 13274 7938 12122 9032 18247 13045 9817 27424 8759 11505 13405 14697 16595 12182 7834 6299 25246 8471 13261 8995 12247 18646 5982 10271 12140 10854 11416 2967 6254 11129 12706 16496 8198 7722 6236 6588 17614 12808 18923 6843 13455 10732 hydroxyproline dipeptide 1526 451 1313 383 1329 390 584 456 198 404 774 545 443 350 572 1027 291 428 484 353 2013 588 1039 840 476 906 1272 277 730 469 1574 1361 393 249 177 121 368 272 1349 553 724 1421 1034 1755 2040 1555 378 795 318 197 1166 663 1225 1853 1180 676 840 1063 1533 512 1889 381 1742 678 2345 668 1811 193 561 2202 296 237 1021 628 646 172 808 1035 1072 497 554 139 370 0 188 376 290 545 921 505 663 506 586 662 653 430 272 407 542 697 662 580 1259 915 991 610 542 109 782 954 1137 215 1147 484 370 959 485 1063 853 356 648 742 170 388 645 1574 850 754 275 633 709 767 1504 1064 911 2104 1295 371 537 464 410 561 1853 287 480 683 492 2008 693 398 500 657 497 527 639 1523 349 472 1484 23123 820 1575 194 766 622 282 273 10410 948 645 203 1755 607 213 537 878 1561 435 927 480 207 1124 637 784 331 569 762 893 739 1178 496 218 868 728 669 921 928 528 292 1691 704 696 618 264 339 264 851 791 207 212 679 1137 335 166 250 568 1312 355 686 2261 386 354 1018 598 446 357 108 213 486 1231 401 336 1839 530 324 390 235 398 170 600 292 933 578 655 709 425 664 895 264 234 662 231 190 450 1359 213 269 46 874 595 1032 200 1614 869 622 195 854 484 682 1817 297 1174 266 544 227 69 493 159 875 846 1465 246 336 219 296 247 955 837 387 436 324 360 256 600 667 391 1565 662 334 322 800 430 766 1016 887 599 1170 357 662 650 422 970 925 974 590 255 411 449 825 2281 480 618 1311 809 447 166 1417 496 173 454 331 1304 617 587 166 782 1687 339 482 419 868 2096 623 419 127 693 710 781 186 214 255 482 251 636 541 448 hydroxylamine 53589 52386 65930 29535 62421 25016 30557 39454 30701 24000 51981 37473 61524 66466 27784 52924 50598 29960 17659 53546 65218 22150 76189 31484 20678 50422 62612 57527 33866 77299 49752 28436 22307 72042 22820 66774 34967 22704 28250 73485 48596 80010 52319 44494 33106 35957 76815 101855 55575 40290 33140 27205 78167 46202 55501 75000 64067 75391 60811 52779 37883 63049 74909 29491 45130 76518 39795 63362 103044 59463 87503 78577 53235 72593 33073 72179 68978 111906 48960 43820 77514 64961 558650 26567 23369 37331 34073 108346 71367 36887 49558 43145 44287 46953 53416 28646 30997 25031 47303 8998 33359 28773 43050 100547 85687 55045 52409 42620 39907 104149 42892 114940 87948 61853 71761 67348 67966 43958 83692 66071 80211 80428 63496 60314 110196 80268 75483 113578 71012 80988 57164 91333 85592 87184 78015 73147 94748 65443 64308 55071 83262 56126 96249 52945 53723 65590 71202 87715 86183 115008 59434 54465 56795 59266 100358 62037 73832 60101 60453 81401 143308 78951 117127 76333 55688 102613 85338 103168 120089 115101 74206 75344 40852 70696 89394 59437 93099 90248 44876 53623 134292 148693 83461 44335 104217 82912 94335 59367 53291 44965 58449 104460 47240 94483 98833 100335 63072 46877 79323 53012 62207 60326 29351 85191 68715 69675 80574 93773 92241 81891 90660 31689 59815 86638 84510 73588 77476 110245 114623 79873 68893 82350 89872 96153 96904 47418 93024 56911 60571 65824 67785 71789 61892 47640 68844 68814 102756 99855 82013 51895 49928 54666 50262 43321 59321 78860 61106 104371 41516 78584 56284 66408 86294 50649 83973 63665 46729 43902 61510 56542 67183 39173 41753 43856 59359 44307 53846 46212 96190 72323 80358 71026 44752 40758 54887 54244 61647 49293 44585 43501 49586 48021 59803 50639 72784 61711 2278 85854 50594 67947 73434 81896 73019 56238 77655 76927 87956 87366 53910 63024 50554 73990 56174 35232 64059 85372 31957 89849 93182 80575 76781 92984 56423 57102 57373 81978 89712 74296 43691 34256 84207 39775 91234 45270 61986 53341 88659 89033 84496 49610 43179 80943 46185 38511 54857 42876 62070 59961 61232 63565 54336 54174 42251 3785 39158 57697 48389 50901 63076 57926 67217 81740 56939 46962 78227 73063 hydroxycarbamate 4415 6789 7089 2564 8483 2112 3029 3806 1593 1824 5512 2404 5658 4998 2389 4753 4526 1642 1041 5292 4030 1348 5505 1744 1007 4242 7260 5616 3033 7153 4358 2074 1229 9126 1365 4087 2996 1440 2380 6894 3908 7502 5725 5250 2591 3303 8368 5427 4432 2187 3245 1744 5012 2134 3990 6411 5253 5050 4042 4744 2995 6390 5967 2074 2188 6629 1846 7447 6579 4154 7772 10084 4638 4563 2384 6145 6266 8484 3967 3293 8650 5461 44197 0 1559 2603 2924 5012 6065 3523 4928 3337 2897 3444 6570 2901 2451 2627 3322 4681 4932 2374 4052 4668 5099 6068 3891 3690 3006 5557 3422 5886 5391 8200 4891 6502 4712 3152 5895 4268 5178 6617 3082 4675 4653 3770 3505 4302 4188 3962 4111 4641 5616 6154 3938 4507 4648 4636 3903 3788 4272 4184 5224 5031 6277 5627 4536 4980 5816 5318 6090 3583 4403 3768 5329 4332 5149 5056 3667 5979 5833 4893 5855 5619 3069 4765 5958 7254 7850 5785 4289 4965 2699 5700 4279 4978 8025 6977 3902 5175 9426 5698 4947 3538 5729 4951 5787 4339 2764 2650 4683 8059 3565 5847 4977 4504 4569 4375 4252 4297 3217 2923 1838 3150 4344 3690 5101 5402 7519 4925 4485 1558 5442 7526 5783 5879 5203 5194 6368 6351 4164 6726 5683 3751 4860 4842 4166 3472 5053 3651 4691 5119 4911 3770 4691 4730 5230 4516 4412 3317 5043 3724 4020 4075 4359 6752 5997 5000 3458 4197 3464 3741 4664 3123 5492 4961 3361 3251 5226 6257 4821 2166 2512 3346 4095 2886 3300 2557 4961 5858 4478 4967 3286 2706 3323 3516 3896 3645 2794 4148 2844 2376 4981 3651 9096 3518 2942 7147 5191 5829 5333 5875 4159 4392 9065 7136 9691 6193 2407 4590 3307 7419 3449 3016 6656 6770 3126 6891 6866 5633 5861 5150 6188 3149 3728 6462 4997 6713 2714 2477 5660 3893 5979 3272 4495 4113 6638 8885 6567 4033 2347 5209 4327 3026 4292 2519 4888 4173 3240 5347 4137 4444 2540 2588 3166 4052 4067 2134 3684 3911 4885 3254 4800 2429 7721 4627 hydroquinone 258 280 225 326 300 291 359 344 357 344 339 368 377 322 344 322 304 256 325 291 304 420 437 329 377 403 314 210 269 368 274 305 311 266 372 448 299 343 247 378 250 378 293 344 316 264 513 507 299 334 372 317 452 360 235 402 358 397 355 236 321 371 360 204 328 419 260 308 458 284 368 278 248 258 382 623 385 604 300 350 418 237 1195 0 343 474 349 578 283 278 319 270 292 293 364 399 330 287 307 282 497 267 322 438 349 442 357 331 275 419 281 391 291 346 431 370 356 317 358 350 284 389 326 375 352 406 395 398 333 298 293 439 391 506 439 414 317 312 274 279 354 421 457 351 376 301 336 363 358 410 338 329 335 336 334 453 308 487 429 822 518 409 329 302 343 349 380 1034 581 505 349 267 366 339 359 339 384 282 470 493 518 496 316 383 422 340 404 463 609 408 469 330 402 377 360 396 570 466 387 349 455 287 353 571 391 511 376 382 411 391 408 384 487 417 429 392 508 450 377 495 364 378 544 577 417 395 353 461 542 351 399 383 662 441 483 513 498 409 500 540 373 520 523 434 318 575 526 491 356 472 382 457 429 530 518 364 522 325 520 469 432 421 393 465 542 412 442 503 528 406 394 394 394 453 431 415 501 355 684 390 374 497 552 512 338 520 343 467 377 438 426 484 510 378 393 494 378 484 458 327 463 442 470 480 449 476 367 430 485 432 358 461 444 498 457 514 484 459 514 475 504 492 437 552 476 387 594 494 410 1876 512 428 395 559 516 340 417 418 404 486 522 360 420 427 400 487 442 299 357 587 486 462 454 321 490 586 histidine 51212 42966 44192 44558 49899 55852 27606 27130 41857 58004 47180 36110 33811 56102 25312 48573 43140 38770 19063 40507 35810 20801 48415 40080 35232 46575 61164 39161 43082 44568 46326 51816 18422 58077 52188 45141 54788 34499 50042 52656 53370 39918 50545 49903 62886 28046 24762 31813 44248 41670 50685 39130 50607 37935 38569 45617 42818 55226 54679 33093 31349 36157 41264 37982 42627 32947 48326 65460 50210 42616 61068 25903 46680 45472 43345 10445 33772 35417 53509 41739 51905 49726 3886 33126 50103 27217 21667 10775 44044 49651 43800 39237 35887 43093 50959 44600 46010 29862 45205 38166 9020 34786 26026 33239 22671 61766 46870 53519 35124 33751 29938 18466 21049 32134 41153 55146 14385 27434 23346 29212 25114 34513 19536 34815 13986 38536 21147 24291 31613 23467 30956 37593 34174 49950 32355 32114 17221 29226 26881 29167 32696 45176 32530 50822 47345 46439 23945 37871 29687 26888 33330 30381 40529 44435 28379 29105 25235 37722 34128 14145 13140 40699 35094 26365 21471 31049 29720 11354 20379 15278 27794 31552 28914 37417 27149 34155 27996 36284 41184 49954 15643 12754 15107 31814 44696 24027 17862 28051 4592 38947 41539 26787 43579 47793 20482 17961 29589 33478 14435 26891 26538 62841 27937 27580 35035 41035 18603 33526 21775 16432 51487 33392 62233 40284 32857 42351 24759 26557 16516 33015 14570 47728 29939 23153 18912 40232 31229 20464 38038 15336 49395 40307 33299 38458 42576 31738 36780 35558 30232 21005 39411 37850 29427 63363 57133 12766 49576 30858 47765 44624 57820 32019 46979 44816 31912 37102 36424 53372 37232 38541 33933 38853 44586 45791 58099 24405 47143 26614 45348 51266 43210 43433 40324 50319 37038 33980 34164 34411 32892 40200 44922 26570 47811 54293 19382 56561 37486 32368 45337 28372 49477 18775 36032 22762 53490 58171 45267 29205 43827 19688 27071 46366 34864 32593 20570 19760 52499 47423 44415 44256 20470 35834 43214 33180 60988 35245 27229 16368 28376 45316 31762 55105 35822 30336 38300 35791 32320 38709 36247 40686 31115 50612 53151 38835 39167 35340 11930 47117 38495 45593 58836 9598 36536 15439 36778 40232 54070 27620 36384 32180 31667 25491 37164 32794 32314 38758 hippuric acid 786 1231 1675 2591 1014 4259 8625 502 1132 4312 2152 2158 1714 4285 499 1980 747 291 5864 412 3724 452 3705 6567 4970 744 4585 653 274 3849 1982 3711 4799 2258 2585 791 487 17450 754 1280 944 823 981 1264 12618 2630 2214 7702 294 420 632 540 1250 42659 2525 438 1865 889 3236 410 2275 1117 17101 2776 534 2447 52895 9185 3039 487 1271 251 1172 401 757 540 1303 5917 3519 856 7585 1421 12735 0 492 627 572 1397 2462 326 2793 469 346 5591 867 18612 578 507 1716 1810 1058 2051 2646 1333 819 1839 17561 1077 432 982 1825 3716 778 380 600 2888 728 2247 1127 572 1462 881 419 370 1079 8595 3328 2802 833 1035 4580 853 917 2567 482 1861 2964 5545 750 509 942 3447 2456 1005 720 457 495 3051 1471 1085 643 1034 567 3060 656 502 796 2189 434 35534 1170 1132 754 2142 477 470 3636 16942 2270 1039 25985 1374 876 2010 823 319 3197 33523 1317 1154 770 946 1194 1578 26142 15686 1565 3453 2401 3378 3195 1891 1030 25674 17117 3291 3184 902 453 819 1376 563 3003 901 15303 434 1923 1438 499 544 598 1656 1386 936 18738 679 1797 1106 3289 1665 803 2466 994 972 684 674 833 1270 2689 610 849 3118 2376 1132 726 782 1313 2800 731 974 1057 2937 669 896 553 3070 1089 1084 717 1081 945 868 16505 2232 442 830 2155 515 2244 24709 1972 2141 33316 1274 1212 21277 2423 1514 1403 655 708 646 854 6084 666 28693 993 839 719 938 36791 882 2208 5326 3160 2032 599 856 3661 1193 2031 3099 1662 1500 239 33831 2052 1345 1493 715 1588 1132 2101 1193 3971 1103 1580 1202 1836 1290 772 1039 2217 1282 1606 268 692 3098 1405 1093 1388 785 3763 2722 721 1494 2216 1338 23416 25076 2705 1037 1835 3381 813 9606 702 786 454 1249 592 766 3346 1026 489 571 675 9706 760 1345 763 686 532 810 891 1276 heptadecanoic acid 5575 4847 6376 6057 3477 4910 5261 6533 5121 4522 6810 3764 4438 13728 9608 6120 5192 6987 4397 6790 5381 7478 6831 9004 4451 4808 11902 4901 6529 7370 7174 5262 6188 6502 5718 6881 3732 3851 9982 5885 5271 6973 4170 5923 4737 5373 9994 6440 7184 4208 7433 6844 10457 4200 6848 4564 3035 5423 4670 11268 6518 12008 5542 10849 7043 4623 6399 8830 5254 7410 6497 10819 3360 8846 6383 8462 7536 4057 4827 7892 7837 5620 14416 4780 8645 6575 9884 8845 4955 3326 4240 4893 5581 5672 5421 5846 8199 6857 7284 4840 10912 6283 5648 5553 8263 7839 8009 7261 4400 9122 7330 6461 6398 7250 6535 9120 4339 7699 6740 7307 5836 5617 4907 4981 8514 5001 3604 7914 11632 6848 7921 6853 4799 5691 6813 5058 7145 6496 6781 7891 6679 5968 6378 5752 7996 3249 8187 6025 6344 5075 6536 5412 6952 6191 5973 7869 5390 5309 9491 5278 14356 5120 10061 6675 3919 5120 4413 6245 7471 10399 6614 3803 6479 3682 7441 7205 7324 5498 7284 5487 8854 12544 8789 5098 5552 9180 12942 9962 11054 7156 5637 3114 3788 5761 9722 8013 10465 5438 6603 8710 7109 5802 7210 5986 7415 6418 6820 4928 10879 4856 6607 6923 4176 4627 7807 5595 5969 6695 4945 5496 7743 8058 6080 7359 10671 10334 4894 16908 5555 6452 6406 6204 7858 9214 4805 9782 8732 8493 6051 8091 5781 4730 8494 9185 6016 8163 11111 4660 6474 5414 6965 7518 16544 6452 11994 6585 7212 7447 5790 9633 9077 5208 4380 12066 7772 7063 5154 8209 4706 9913 7908 12824 6386 5602 5515 4845 6188 6921 5747 8914 9222 13987 11339 7038 8685 6175 5591 4723 10141 12167 9819 8028 8390 7232 8219 6705 5861 10825 5974 6085 9198 5979 3966 5829 5430 12462 7357 16738 7514 7783 3545 5120 7380 4996 4808 10429 8438 7462 9367 7180 5335 9583 4985 6269 5710 4288 6017 8856 5559 7104 10113 7815 3790 6118 4699 5658 6809 9208 5774 11562 27709 8614 11510 6890 7414 6213 7569 7520 6156 15003 18067 14045 7414 7230 10470 10258 guanosine 35 75 78 30 45 32 40 434 651 20 84 161 136 109 254 77 4 88 155 282 154 170 204 40 87 513 178 110 130 419 171 118 135 116 459 247 183 46 160 198 171 364 42 45 361 36 220 182 857 44 267 39 122 263 49 240 94 8 60 31 59 81 34 123 204 394 125 29 566 81 176 163 99 80 435 164 74 152 311 67 57 87 90 0 88 504 83 49 111 71 98 189 128 51 106 193 89 34 140 55 429 10 205 63 177 131 360 39 72 156 375 80 45 251 557 226 46 169 287 27 64 488 68 160 180 34 124 97 68 163 93 231 105 161 187 130 186 239 253 193 503 60 615 57 164 164 989 76 21 93 567 502 232 294 771 50 27 56 310 93 342 153 68 544 204 112 76 21 600 499 100 20 94 407 11 677 30 338 73 86 108 433 57 56 60 107 298 61 209 185 70 250 77 100 62 329 66 90 14 171 60 153 138 32 125 74 152 101 176 130 130 175 80 85 191 21 149 122 62 175 110 62 139 447 114 118 141 111 40 289 77 65 297 53 151 106 41 199 72 146 307 79 119 63 10 44 39 141 33 93 42 79 242 26 41 22 42 31 40 29 83 49 26 186 57 65 37 68 164 14 49 111 77 61 38 65 108 45 52 123 10 31 20 48 37 119 21 38 14 69 27 55 30 13 44 52 368 10 12 23 77 25 34 62 25 32 42 164 35 49 14 69 37 145 19 5 21 26 86 50 54 114 50 35 222 30 157 65 544 107 220 110 355 40 77 146 67 290 181 116 463 375 29 246 580 79 118 136 44 636 931 119 480 48 973 406 guanidinosuccinate 248 214 213 261 153 142 159 110 182 193 174 232 247 107 157 179 144 95 138 197 214 147 190 122 127 241 222 145 154 213 210 122 132 165 194 249 162 162 131 150 203 156 209 148 146 183 208 244 186 158 163 169 169 65 227 226 182 130 273 162 145 207 131 154 173 219 65 165 246 166 147 169 208 211 157 250 276 134 136 183 225 209 150 0 168 176 187 238 256 262 225 186 210 197 217 96 171 146 263 169 266 156 191 197 183 234 112 156 128 217 193 139 221 157 281 171 198 211 251 186 253 366 198 244 253 237 213 207 190 225 218 355 251 283 186 289 233 209 139 166 194 229 201 208 270 280 161 234 239 218 195 167 209 301 229 153 184 267 203 185 269 223 187 175 183 194 162 328 345 303 294 178 115 186 207 194 276 177 144 296 257 207 181 136 238 158 227 115 225 104 95 262 142 222 181 198 214 154 253 75 123 148 155 169 195 227 229 212 184 283 157 124 241 160 196 255 160 170 251 184 158 135 249 198 139 174 222 213 190 158 150 195 254 198 171 215 156 163 229 156 136 162 114 189 159 211 251 214 198 170 141 206 172 140 261 145 260 141 152 163 157 158 87 167 149 184 204 135 204 245 213 171 186 122 177 135 250 138 155 162 95 195 285 154 185 195 123 172 277 185 169 217 191 171 162 166 154 188 89 153 153 107 111 166 117 172 125 179 191 217 119 129 146 132 134 179 175 146 129 191 197 233 128 124 164 211 203 197 103 134 174 184 112 146 193 172 152 141 201 173 189 125 87 142 220 120 145 94 74 257 241 138 156 130 228 280 glycolic acid 4625 8444 5113 4751 10465 7379 9522 8379 5077 7161 13971 11451 4623 5451 8486 6363 8612 3727 7098 6956 8535 5922 4946 3171 4631 8852 6957 8267 4868 6404 7849 7279 4777 5109 8179 6079 10432 3984 8362 7715 9407 9132 3948 9583 9871 4460 10052 8810 4318 8447 5010 5610 5471 3927 8287 5701 7103 8301 11883 7198 4398 7565 8397 3783 7520 13694 3134 6112 9546 8596 5186 3764 5195 8307 9223 9938 4874 8957 10621 4241 12824 7125 25630 3768 7140 11092 11817 6555 5371 8244 13144 5753 3985 6496 8429 8294 6631 10466 8136 10582 9619 3855 9231 7098 7095 6735 7303 7836 4066 7619 14159 9502 5278 15753 7355 5033 7423 7687 8021 7667 4728 9053 5549 5867 9455 7396 5044 11936 5493 11333 6915 9373 6877 7107 13336 5234 7060 6189 7601 6765 10270 7947 6764 7619 11900 8680 10956 7525 12761 11107 6987 10396 6811 8561 13707 6939 6258 9233 7515 6904 12548 5567 7685 5522 4802 9529 5656 5362 15871 8011 9743 2504 8375 6164 3598 10241 6633 6327 17136 6706 7942 12375 9220 6539 10204 9054 11553 8532 11414 5680 6903 6448 10265 8181 7765 8053 17166 10757 8366 8206 9494 8433 10088 10616 8153 9042 7374 9676 7590 12409 15550 10619 15901 10462 8315 7669 10795 10159 7817 20877 5913 7616 12936 12000 9377 6738 11482 10894 14031 5927 6969 9667 13504 9258 7520 9671 11932 13834 11792 12806 12319 14026 15344 15243 5916 14734 11348 10233 7964 5780 11250 11501 11131 7574 4075 5363 18120 8601 18458 20526 6630 13257 10761 10271 10197 6345 9916 9653 12565 11621 13271 4513 9287 7808 12884 10589 8648 13428 13917 18056 6510 10872 9105 13928 12502 11220 8351 8387 12161 8180 7768 14553 12796 4613 8810 16650 12966 11812 5955 13625 15249 7640 9376 8475 11475 10460 13358 14294 8806 8710 8624 13584 4633 14571 8112 11481 9007 15095 10999 7304 9047 11619 11462 13714 13744 9362 14697 10794 6763 8561 18554 10444 7616 9743 10957 4791 10969 12542 7485 12275 10048 11711 5828 7288 6493 11119 10460 7492 5514 8892 14285 8368 10339 8111 20474 16204 glycine 26373 27830 14420 228533 20444 312231 211643 48975 168127 311363 42950 150154 52219 15308 70375 58427 32537 140387 266256 15566 25804 420403 85426 151256 350750 39415 28361 15289 78296 11434 87297 102092 206167 12195 349125 34703 48695 327613 154306 15441 35643 16399 14115 108594 87163 107785 21756 16572 24998 45034 168754 238158 17635 164631 18457 14878 20548 19245 14757 11268 143804 19883 43527 102502 138828 17364 86484 12549 25805 18368 8353 8935 12793 18795 137156 11764 14599 26777 53510 71809 14632 12572 72223 156243 213615 132004 51058 18691 10782 104386 57125 60039 44039 54742 57273 325997 157550 118192 72197 57926 31001 93149 39712 13626 12466 81758 45625 65394 77801 27286 40247 23336 10226 20053 31642 23917 26058 31059 42148 20026 23624 24332 15653 18450 14766 20806 48377 26900 19157 31009 16214 15227 14506 13671 23821 27825 15369 31171 15887 12714 15145 77393 12899 105767 27032 22926 31182 21978 21850 23760 49465 12069 20417 78929 26362 12839 25421 22125 33658 37676 19804 14637 15827 35131 13130 30455 25935 58107 43100 25436 14746 17811 54641 18708 14956 16319 45421 21086 87460 35486 19385 30612 36552 50078 13577 17230 16445 55008 142787 67748 33101 42995 53817 12879 17386 18832 49451 133157 28240 51715 26632 24245 45394 24103 23067 15395 34597 25826 18248 33400 23894 41739 61186 22222 19224 16730 49909 28971 25019 47272 16292 18805 23162 12668 17747 47643 25639 31623 64744 18208 14196 23642 84990 56651 25074 50218 20894 17950 27921 67199 62276 83938 40777 83698 13772 19795 72293 32761 56413 19077 33151 19307 15966 38807 28121 19175 77942 31173 68388 43979 27755 74319 41694 65478 68241 50632 29701 23499 45175 19684 17516 20256 20381 48959 32397 25557 32933 42108 33851 59211 31361 39711 37373 32427 41647 25428 20340 12196 44669 30001 25755 31370 27724 15069 14495 26698 29189 21100 22784 19599 135849 20002 31944 133672 28582 20969 88730 32338 28518 28404 19116 23983 23482 102644 21685 23332 23785 20301 109150 54914 26355 83242 31461 95135 46746 42299 17500 19516 19485 20542 64093 25055 32364 94281 40712 43766 27690 19278 34972 30054 48224 24780 30022 36162 46579 59815 32547 20193 21485 61618 59673 30657 28181 26259 38352 21970 glycerol-alpha-phosphate 1082 1117 1177 1671 919 1629 1015 1403 1185 1444 1023 1271 1334 1143 1036 1554 1333 1183 887 827 1141 1225 1081 1070 1242 1020 1287 1072 1052 1098 1049 893 1113 885 845 1154 907 1750 1010 1289 1038 1018 1323 1364 701 903 1616 1065 828 728 1242 913 1596 830 1164 1088 1322 919 1050 695 995 1029 1603 2029 1126 1312 725 1729 1451 903 808 885 1017 768 932 754 1064 783 1188 1107 1445 875 1701 0 1274 1019 842 730 824 1562 1291 1120 1102 1160 1177 1014 1507 946 1785 1104 1192 922 825 1338 909 1239 1139 1161 1200 1022 861 1320 1539 1373 1625 932 1428 1073 1902 1560 1293 1597 1318 1139 1083 1445 1519 1374 1469 1194 905 1283 1711 1164 1179 1400 967 1238 1091 1187 1186 1337 1394 346 1111 1468 901 1580 1588 1328 1110 1178 926 1150 878 732 1111 1688 974 1452 859 1652 956 981 1202 1108 850 1045 1392 1192 1148 1177 1082 1227 1217 998 1112 1061 904 1237 2122 1226 977 1639 1359 995 1070 1191 1735 1555 1104 1418 1311 1422 755 837 2137 1792 1495 1312 1478 1053 735 1229 820 1136 1169 1629 1171 10562 1206 769 1543 1322 1253 1194 1644 1373 1225 1261 1309 1111 1482 975 1170 1059 1420 999 1742 800 901 1070 1359 1314 1195 1755 1521 1172 1530 1491 1077 2340 1067 1291 1169 1237 1467 1414 1272 1181 1561 587 1166 1175 1256 868 1290 938 1824 1164 1295 950 878 975 2041 1975 947 1117 1638 3340 1239 1131 1127 1361 801 1279 1180 1147 1030 1141 847 2482 1609 1469 1991 1314 916 436 1232 1432 901 1273 1484 981 861 1320 1006 1368 1269 1691 568 1658 1426 1521 2137 1156 682 1311 1001 1082 1504 1178 1158 1226 1545 1351 1071 1694 1192 451 1298 1188 1281 1207 1521 989 1497 1208 896 782 1523 941 1063 949 1050 1301 772 742 1069 1338 1222 677 880 834 732 1327 1004 788 831 1249 1351 2934 1239 953 1164 1076 glycerol-3-galactoside 785 1039 585 684 754 672 1100 945 662 957 666 1489 1612 663 1700 964 937 745 836 1072 656 1128 1039 734 936 651 990 883 1020 841 724 965 1275 1078 873 1146 712 678 890 859 1433 657 1099 746 993 1452 647 3205 698 1000 645 762 244 1140 798 918 1383 1146 896 576 956 887 2124 759 2332 969 1630 1802 919 1232 829 724 458 707 777 594 1151 782 2048 931 1445 991 200 0 655 799 375 597 941 645 632 760 335 1249 1008 1468 718 1092 816 640 400 1644 1182 1113 601 822 2195 745 1055 719 768 1145 269 1059 779 1342 787 526 1543 286 969 527 1549 665 2096 1837 1036 853 432 713 501 727 709 754 950 1319 1255 1199 505 469 673 1342 1150 799 805 682 869 1447 1111 627 934 764 667 1051 634 440 1279 831 1205 12445 1162 1676 1579 563 2384 875 896 11537 887 1242 513 590 585 889 706 1206 873 713 892 718 679 745 2144 544 813 754 1019 817 614 582 935 648 3746 584 483 844 964 1134 867 333 847 792 1750 1631 612 629 1998 2702 666 873 624 1655 1891 781 1352 645 685 1210 641 698 433 628 1762 2115 806 992 831 587 2685 465 1203 1002 726 970 889 681 1081 889 635 1399 501 787 592 1080 2535 3111 794 1155 837 1050 827 677 791 717 1098 1129 1213 2408 894 637 930 2620 724 1014 839 486 1534 893 1050 627 610 742 833 1354 1050 892 2028 1038 1869 714 811 482 999 482 1965 1341 1300 574 842 1803 693 716 1929 1155 632 926 738 818 575 1411 833 1372 1144 835 986 796 2331 969 970 1315 703 1051 1234 703 737 721 1225 1007 1343 1299 897 851 1604 830 721 1037 1675 821 916 704 781 1176 1860 898 717 501 1740 931 674 992 1035 2228 641 1287 959 1585 861 1387 901 537 2379 764 1435 1325 592 633 glycerol 188843 93884 192087 81611 89232 55953 98812 140318 83745 73495 108251 73836 56252 347465 273821 100289 91796 70267 59599 133606 85349 144563 127757 143359 50121 81082 193208 73677 76034 113645 104277 102688 64789 154863 126571 95986 84718 45584 158213 71572 116234 88725 69256 77131 159133 104789 182929 149773 109729 79597 111332 134333 155196 53597 156645 47667 38260 125523 86622 231184 117196 216964 83997 116920 129525 105434 105250 246005 87141 152403 134013 273349 65736 151521 112549 151992 231815 57492 90222 144559 203884 96065 49799 207777 183046 103803 302113 156729 155441 33562 83217 94881 58041 104876 73728 60574 160806 160744 125372 132682 123806 267333 124572 114177 144091 94039 103432 105670 206547 82972 217095 107099 117487 129097 173647 130887 144680 178908 152580 128136 154029 127728 109612 148636 267611 56843 65664 226917 140313 35436 122130 103729 106491 97654 125542 72144 190141 89724 181042 177915 90185 117869 151016 163769 194777 38463 180099 118164 60300 149777 107478 99974 207407 101566 146098 179993 88656 57138 177025 122780 282071 128019 164837 189071 203721 115062 129923 272159 112412 150128 72682 139522 162016 93567 135875 261913 150253 108943 127676 96112 87170 344169 76649 168579 118315 257644 208001 162692 157380 122615 80932 123284 179171 173733 161082 166491 118630 86903 139852 111583 172464 117889 234402 131527 142921 129102 111460 88313 304030 211000 143973 215681 123472 52198 117689 121078 224357 125043 125511 83700 199682 87618 106727 146848 258628 168228 75934 631586 121588 115103 247908 168372 125562 156287 76197 136792 152517 180364 114511 173111 131578 46443 180082 163841 118774 175460 334049 61528 147677 110996 159489 255391 246004 87404 338287 159223 235175 82335 95100 237915 40608 76056 110827 200933 121486 121604 170639 216719 53978 227605 168332 251600 241455 95151 153345 97748 144931 191987 138219 172296 150104 177738 191480 162761 172323 171217 193226 70363 168087 267726 175418 152765 180920 193770 138282 115445 109019 142083 96144 117341 217182 198735 166204 109377 115889 295780 113180 182094 116817 94160 77418 109970 162169 147762 104102 127298 162032 169399 156514 126721 112556 312466 160124 136214 129159 127276 114393 187077 141331 258786 275405 180343 56332 125080 110451 283554 126521 185399 177561 142646 241215 120475 173777 81323 220036 122594 148094 175879 120292 141666 346740 154546 202454 109629 292829 170535 glyceric acid 13309 13445 19620 17770 15183 14036 15604 8122 10099 8983 17932 22839 11686 18888 6282 15411 10665 10908 7750 9899 29154 15876 18400 6803 13513 13517 12926 14730 9629 8944 8108 8936 10372 9051 16678 17318 9673 17520 8812 14428 11533 11717 9714 9473 11186 30206 14279 18433 9220 14870 11396 9280 14821 5395 12712 15051 7242 15391 11134 7184 14799 17241 14886 7896 6182 15464 6859 12822 18489 11554 14230 10907 7691 6779 17800 11427 11008 16978 17371 11859 11886 14032 5022 17364 14505 20807 21100 26564 15727 12552 15236 16787 19225 22978 28270 13225 23613 13920 18162 16244 20951 8540 17666 22354 21260 16266 19613 14121 8242 21435 20074 24985 25274 14930 14162 14770 19791 21956 23620 10674 18053 26066 9356 10532 14823 10298 17984 28637 11346 24900 12419 16881 10333 14587 25845 18522 19094 8499 9022 10401 25013 11803 10379 9393 9841 14339 15139 17874 16886 32811 15528 13258 6754 11874 14461 11726 14423 12510 17137 12561 33743 14781 20991 14982 9465 16899 14206 9314 31064 27993 6876 14116 18942 26389 18370 19729 21169 6463 18320 19034 18621 23591 13397 19873 14404 8652 13964 21236 15821 7963 15453 20472 19505 13684 8896 8184 28508 15588 21672 10514 26956 10515 12008 12536 16911 14259 7380 36685 17529 20710 19045 10489 12463 18727 16063 15338 21562 31715 20742 30468 20208 14968 24744 17206 17390 15375 28590 23457 24012 16201 10620 24976 30362 21081 13233 25023 33256 24590 28589 8783 20612 21385 20731 6665 10464 21362 20573 22939 16119 19686 9718 24463 16798 18256 22003 17445 18024 11582 20212 18474 18567 16523 15850 23308 9322 19064 21594 18182 25039 17340 13843 13981 19863 18681 18196 9408 19519 21763 17194 16527 16217 20026 27706 25368 11237 18190 27263 15323 28421 8247 10277 8873 19567 22671 19564 27745 15702 19319 13733 10588 22474 14869 12890 24081 19270 18248 10685 26226 22658 19174 17598 13232 12836 17902 15492 18034 22659 21813 18493 13539 17240 18107 17393 17711 21335 33421 37274 27067 17553 9852 16504 11898 14899 22572 26285 15681 14024 17121 20712 25565 22598 19508 5414 16547 8152 28328 16358 19935 5341 24635 9945 11703 14180 11775 11050 20432 glutaric acid 134 171 230 171 155 188 137 230 152 189 186 151 165 196 246 155 267 208 250 190 121 197 195 256 208 148 153 120 109 157 121 151 205 168 228 127 191 198 202 233 194 174 117 142 168 182 228 211 95 178 169 122 174 240 181 212 194 156 203 135 137 182 242 115 143 277 148 197 256 220 253 145 136 229 142 98 129 212 175 248 308 211 430 0 161 222 557 223 131 88 98 189 94 137 120 100 138 624 426 166 288 111 172 213 147 116 369 191 145 214 164 202 175 446 142 238 139 337 203 145 135 226 293 191 243 193 136 159 136 175 100 231 141 175 366 190 161 159 214 83 132 107 200 94 217 137 153 201 181 225 169 211 132 193 239 168 149 218 185 287 254 183 156 160 139 196 51 99 315 249 346 188 212 112 289 152 303 231 443 45 245 205 191 472 547 155 346 129 253 152 164 179 634 646 154 326 255 176 244 197 216 361 230 227 173 230 208 293 293 284 429 282 329 174 66 187 246 241 222 203 147 147 335 328 209 105 213 510 186 166 157 233 229 113 266 223 217 282 217 132 107 169 237 236 142 257 198 181 114 273 132 134 322 179 251 110 157 242 266 198 213 210 188 150 253 166 112 90 221 132 263 154 98 173 272 344 185 171 228 127 205 210 154 105 172 114 118 137 175 145 94 181 168 96 174 284 171 129 105 295 312 184 203 148 160 169 165 193 174 133 158 208 152 363 80 249 426 185 215 125 195 186 201 136 284 108 239 293 256 233 175 234 328 190 955 116 129 265 186 167 168 109 1318 135 311 190 138 135 315 314 167 240 440 230 166 279 glutamine 500133 440833 389950 216572 339391 391828 347149 343287 388190 436859 339395 420372 388748 500714 361611 486162 359161 255022 349543 497162 324918 235403 391941 377791 376332 514108 587737 285262 288362 511325 532758 470719 161526 658882 405206 636801 426551 234707 368845 504196 553350 448459 384653 505633 555384 368794 235467 401440 581714 452943 287556 319056 549032 160077 349407 505776 483197 456904 594652 477106 377104 208758 458365 273663 334906 510995 192603 527566 477010 438059 432471 381275 562790 658142 538333 424069 389129 436517 381973 501316 465218 424534 109032 361502 551975 523998 317561 410017 471549 624380 489871 420672 412066 528361 537697 451342 472136 387174 749392 534014 373176 358374 446062 429130 347620 668252 336503 455147 207254 514844 451634 274048 272211 304538 579864 475866 336119 344921 382350 330972 395798 530091 356825 405247 419695 334987 432924 294042 368814 360554 473609 475379 404758 578379 382750 320374 312445 387186 381491 390375 371983 721422 394613 450629 594611 415579 427505 338267 442952 399835 438962 423076 482791 640493 457154 382472 273897 402582 577597 244680 351597 601517 469238 300506 273702 418621 388098 338072 435055 416871 333249 325698 338420 457100 383193 431250 404996 444640 486996 651678 357373 303333 288134 354005 398323 279789 311365 374747 467084 490109 447744 626853 475963 385297 321521 285688 472317 325541 347747 338082 419986 340061 322099 379561 375936 486474 341146 412211 292401 389128 411991 322269 499743 538541 494571 439332 326752 404425 273666 329530 293550 554763 403772 343382 355597 376905 472145 309956 415396 303754 476246 519337 326568 492898 621494 544708 485704 425692 453140 394968 452546 503041 296960 656131 484507 327271 639193 596262 433654 559632 487663 417801 428165 469360 627272 479366 508771 385433 481535 335090 443385 391804 360988 476742 597422 325807 473154 245471 659070 623470 394473 528734 466230 479561 500845 453269 476919 304121 303548 512972 390589 287309 610265 457263 368290 727237 312081 373838 448615 354590 434358 354081 616042 321181 460835 482413 557382 396276 434599 287518 342893 429344 418330 256466 276389 294049 519399 476566 378939 640043 327586 392472 424758 370165 455285 381174 412799 262019 351866 400430 345672 556765 422046 370066 338022 730382 364172 544966 478241 451705 389153 445337 310815 416496 734021 398187 271911 453937 491278 510202 438714 226581 354157 354890 407111 444926 504580 250600 356943 413661 375668 349965 365609 311977 374359 477356 glutamic acid 28141 18246 27026 28450 22381 21656 16002 32001 15535 15076 11932 10456 9471 14091 34495 16898 29711 37056 11402 31279 12457 14380 12064 18361 12860 11719 15290 22136 30636 23408 29743 16854 9229 34897 14247 14553 22262 12920 18840 14784 20926 21811 14074 14353 15079 28046 22738 10807 19419 20038 19324 28033 20377 11409 22480 13484 12216 27069 19194 21993 31341 16520 19473 18632 19144 16750 11343 23631 17617 18753 15195 17435 19295 17414 11384 23190 17659 20436 14887 21066 18230 24796 5182 22758 12717 24892 24328 21292 13889 19264 21765 14781 21983 20177 15409 17254 17638 29341 18981 23039 9057 30193 20992 23331 21368 20522 26940 14993 29781 10387 13779 24614 19301 23871 14735 9031 26902 15515 11917 15985 10657 13947 28783 29223 46861 24776 11719 11022 16244 13181 31914 25342 25762 22018 11356 18812 28409 34163 21236 28071 12488 15049 21524 30055 19759 9447 26549 10821 21914 11058 23637 24036 14126 10470 20759 19897 25348 10539 22346 11622 12895 16235 11834 25040 23378 19762 15481 16715 11318 18332 20751 17339 17043 16365 16428 21525 14692 15526 19438 26193 13468 8788 9288 28724 14604 15736 19047 17569 7137 18662 15606 14351 14071 16179 16193 16638 20912 10741 29193 15756 10923 10048 19029 13854 18093 15065 23561 14927 15660 22436 11103 19403 14547 13051 19789 12863 12115 11268 19169 9625 40607 16514 10708 9686 16526 25994 12094 12409 23434 38088 11417 19866 9271 22440 28039 11544 13371 15567 17828 16851 22943 21384 16687 18771 16857 10167 17366 15177 21986 20611 25871 28577 19361 17019 21346 23976 18416 42377 19863 17089 14567 25472 30203 13940 17959 36565 15321 18141 18434 23566 24371 13980 33712 14794 27674 32105 12108 20226 16486 23661 29355 32086 20106 30834 22548 31744 19203 24157 18033 13933 12524 44537 26383 29673 25215 13799 21447 14091 23103 48229 21343 15986 20108 16386 22546 26190 24160 21597 18999 22174 37842 13836 23164 18588 28815 25613 25452 21546 17579 25737 23638 19599 23072 15965 11086 19035 10489 13235 20562 17619 22544 17691 13009 20581 24028 15081 19466 16099 10514 13668 15056 14657 24632 15731 18626 14258 12012 22790 23012 24179 17226 25852 13852 16042 29503 17352 glucuronic acid 2250 2633 2195 1450 2998 1764 1917 2330 1244 1448 1958 2082 1941 1455 4775 1673 2059 1348 1192 7171 2457 1485 2166 2524 2108 1350 1723 7205 1254 1970 2674 1554 1494 3417 1385 1505 1827 2482 2033 1827 2787 2335 2959 1487 17930 5387 1655 3118 1185 1522 1740 2034 1403 4671 2779 1571 1451 1905 1619 1525 4199 10952 3205 1516 2532 2652 4222 1846 1794 1605 1879 1461 1252 2049 1872 1235 2054 2387 5656 1360 2073 3295 625 0 1203 1848 8937 1650 4641 1260 1545 4667 1424 3206 1960 1965 2775 3007 1631 1742 1929 3310 2346 2674 6697 1900 5309 1447 3670 1510 2840 2748 7568 1924 1834 2336 1801 2513 5454 1505 1958 3090 3407 1490 3222 4494 6115 2418 1456 1934 4938 1555 2432 1816 1444 5164 4440 3853 1885 3178 2049 1585 3048 2263 1242 2529 1638 5182 1326 2190 1654 2289 1373 1404 2649 3967 2258 1327 1755 59179 3372 5455 2140 2534 2618 2105 1821 49993 1771 3340 2099 2043 1899 1526 1696 2226 1919 2333 1961 1408 5638 2315 2109 4279 1712 1311 1752 2591 2260 2850 2050 3125 6830 2061 3034 2434 2309 1876 8622 1894 2171 2363 4371 1922 1700 1643 2114 2572 2572 10458 2385 4256 1959 1958 1559 1299 2106 2811 2673 3207 3436 1315 2851 1893 2215 1935 2061 1810 1392 2571 1645 1708 2900 2215 1344 2399 2156 2963 1765 1980 1886 1616 1755 1936 1512 2509 1928 1728 1902 1440 2474 3857 1701 1544 2286 2902 2303 2082 1768 1828 2762 2266 4750 1747 2201 1513 2068 3964 2267 2281 1014 1487 2337 1582 1232 2718 2692 1644 12434 1620 2856 1772 2514 12466 2155 1809 20844 1556 1695 2079 1479 2319 1619 3478 1942 1501 2697 1607 1415 1661 1926 1619 2300 2312 1985 2637 3050 1751 1393 2771 2440 1587 1902 2053 1524 1677 2300 2011 2442 3232 2391 1871 1899 1822 1681 1523 3298 1544 2529 2585 1792 1847 1475 2057 1447 1079 19202 3798 1416 1866 1703 21723 2846 1887 2548 2066 1653 2637 3045 1690 3222 1680 2247 2494 2739 1757 glucose-1-phosphate 3503 1577 3093 1994 2142 2960 2707 3451 3122 2984 1378 4128 3651 3161 1989 3464 3138 1713 2598 3014 4264 2646 3778 1773 3410 5342 2589 2760 2172 4625 2587 2590 2436 3690 4056 4916 4323 2455 2337 3726 4202 4113 2628 2633 3769 2019 580 5015 4441 5341 2507 2813 4779 6171 3544 2097 3241 4539 3412 4798 2909 2312 3328 2063 2511 3209 14377 1357 2484 3936 4648 3638 3839 4770 4288 3665 4588 4181 6935 2963 3328 3617 2551 0 2744 3903 791 5192 4144 1989 1167 6424 3904 3863 3217 3661 2928 2956 3750 3605 5317 2261 3860 4944 5640 4018 4056 2899 1539 4409 3497 3717 3619 3509 2432 3919 2528 3299 2805 2096 4634 5115 3480 2982 4376 3543 4594 3283 2249 3587 4495 3874 2499 2387 3668 2868 6288 4885 3191 5050 7810 3406 3921 3701 5814 1139 4497 4014 3396 4825 4021 4835 1622 3860 6901 3314 3829 3451 3949 3559 6688 4301 8366 5043 3507 3974 5049 4575 3467 5013 7601 2982 2938 3367 7347 2638 1722 5875 1371 764 4662 4626 3069 1811 4284 4700 3808 2256 2702 3905 3328 5476 4745 4273 5527 5007 3326 2253 4583 2207 3178 7663 4507 2860 1909 4424 5374 2664 3294 3775 8587 4232 2598 2729 3371 2173 4197 3615 5277 3556 5252 2541 2426 5135 4345 590 6387 2907 2654 6689 10080 2973 2463 2628 3062 2792 4568 4264 5147 3576 3626 3050 2059 2144 7731 2669 3058 4589 3729 3453 3202 4293 4104 2786 4089 2366 3261 2189 2894 2911 2809 2711 4116 2763 2465 1153 2863 2783 4978 2317 3425 2815 3046 2687 3226 3546 3231 1379 3928 2892 6007 2064 2568 2788 2398 3793 2659 3049 2036 2907 2943 3754 4531 4880 2499 2791 3202 3263 2603 3228 2551 2730 2805 2283 1975 4389 4258 2635 2568 3807 2360 4211 2531 2445 2776 2151 3887 1935 2478 5981 2870 2973 2319 2592 2613 2899 1772 2634 4760 4349 2976 3373 3753 3567 2414 3087 2790 4826 3390 3807 3094 3263 5881 4906 2565 3203 2746 4860 3606 2657 3350 3964 3675 3479 3321 4031 glucose 1279256 1318124 1280155 1328314 1462694 1232166 1202748 1329896 1298679 1297116 1333189 1322854 1405328 1206207 1265505 1232470 1258859 1463432 1441231 1288082 1403667 1069995 1624791 1251858 1386045 1236314 1331476 1351417 1584277 1287964 1457397 1146946 1470321 1538262 1376389 1618979 1342997 1478277 1351344 1410407 1509698 1636448 1474148 1353496 1288077 1536257 1582410 1252579 1438496 1380846 1255336 1318481 1383058 2270676 1279978 1394832 1174963 1809786 1156480 1519422 1773346 1324724 1359123 1138890 1443939 1312156 2450367 1625716 1198233 1711333 1668988 1529344 1088889 1509568 1360202 1485978 1303518 1345810 1286557 1302775 1511483 1309018 371568 1498066 1215889 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2547543 1976437 1450777 1364978 1397397 1154985 1464317 1620934 1536400 1465711 1687670 1677756 1393265 1752227 1843562 1541982 1638952 1035536 1521744 2332254 2639115 1403180 1370712 1426624 1579748 1416942 1630649 1803988 1613828 1501910 1861545 1386435 1549169 1175209 2336991 1334889 1227944 1582812 1566927 1302300 1471001 1654279 1481502 1479724 1687152 1401595 1419324 1445753 1630645 1708302 1381223 1222633 2271868 1551879 1233883 948765 1300139 1299284 1755313 1615383 1459550 1274334 1402042 1294098 1504585 1834238 1311806 1364892 1381767 1823175 2489677 1088998 1314072 1721335 1734293 1493007 1217010 1422775 1300256 1577524 1304369 1831473 1536515 2168475 1499323 1279091 1663952 1545826 1300304 2187937 1600792 1443927 1224739 1575599 1330342 2038166 2377491 1491527 1303016 1367441 1598687 1509799 1473425 1612697 1440553 1643660 1435164 1266246 1659648 2461761 1344458 1449453 1432193 1591003 1585824 1202892 1575604 1552954 1540951 1626546 1529433 1353435 2040495 1406706 1155531 1340529 1198227 1877509 1544679 1733378 1466781 2088726 2176170 1823860 1534336 1606383 1309695 2046691 2344448 1386689 1617693 1721063 1742171 1960432 1693091 1372622 gamma-tocopherol 2121 9470 2767 2378 1188 2092 3193 7303 2755 5734 1314 2743 581 683 8485 6284 5510 5069 2646 6914 2507 5670 1184 4221 1789 3917 873 9286 5343 7165 4318 1858 3243 5716 2703 2170 5195 2900 4260 1547 1538 8206 2598 3080 1794 725 9090 1706 1235 2931 2975 3642 1234 5406 3680 8794 3930 1378 1932 3611 843 6069 2411 6894 5861 2160 4669 2098 2978 1042 3363 7068 2758 7249 4026 3996 2679 2373 2188 2264 3718 4592 2906 6119 2151 6425 3946 3903 2607 4277 3000 3889 2451 3287 1223 2172 229 2571 4813 2176 3980 6801 2481 3988 4141 1934 4310 3936 7784 3188 2149 2708 9739 4785 1916 2044 4630 2241 4657 6905 1711 1804 2107 3477 2440 10583 3209 1518 6775 3747 3535 4813 8369 3083 10142 8342 3357 9512 7251 5506 2367 3608 4696 3845 2336 4850 3198 6456 4484 7664 1859 3003 6480 5845 7309 2296 4646 4216 1842 9521 1797 10534 5141 1514 5012 5778 2352 8763 2323 1715 2409 2519 772 1132 5149 3751 2808 4862 1152 1602 5491 1425 2559 2617 3376 8850 2534 3060 2479 3505 2146 1038 2335 3379 7589 1753 2641 2180 9625 2868 1441 7807 1823 4002 3856 3107 3087 4659 4757 13524 6447 2081 625 4297 4381 3318 3807 655 2417 2820 3491 1495 6456 3855 4300 4820 2821 519 3949 3389 5175 480 3405 2682 5317 3900 1563 4138 3042 3169 2913 1829 5752 1677 4522 1888 1004 4563 1611 1008 3553 9068 1865 1068 826 4662 2782 5859 2234 4795 3290 2599 941 2975 1942 1880 2408 5615 1523 4564 2834 759 6907 1793 2554 7664 3717 1705 4158 3921 1789 2302 1405 5366 4889 3637 1926 3734 1314 5047 4402 4566 4907 1264 3966 4714 3079 7661 1662 1609 2012 6269 2055 4318 5492 1166 5904 1112 3094 1744 2038 3240 4327 3336 1836 3411 3238 2892 1811 6176 1557 4468 3923 4263 2743 2422 7464 3202 1984 4469 4784 3051 1517 3319 2329 3855 4399 3805 3948 2363 1604 1940 2938 3769 1924 3578 3398 3167 2687 6572 10620 3624 4365 4693 9875 5792 galactonic acid 778 505 908 573 458 845 1065 910 746 717 1116 1158 1294 739 694 775 910 668 1016 1197 1330 828 1569 1086 968 759 943 895 742 582 755 826 925 1130 834 1060 792 1038 1159 1016 1058 725 1039 1201 999 1517 910 1070 877 765 926 765 947 5558 926 1010 878 1148 614 752 1452 546 1057 720 839 1014 5802 596 928 979 983 467 650 806 820 706 940 1211 931 835 728 952 595 0 861 927 451 645 938 1054 910 774 561 988 1019 967 1007 420 1074 964 954 1286 969 1417 1011 992 654 1107 1255 999 1034 1269 1159 542 774 1267 548 1033 1138 782 1150 899 867 566 811 1380 1220 1166 846 1372 670 834 1299 1246 820 1721 1009 1472 677 1946 1182 1325 1230 1451 722 818 901 1736 865 810 943 1642 750 1151 1243 1196 846 743 1116 7322 1416 995 1225 917 1225 1137 774 10678 1180 2141 876 1121 985 806 1276 1253 1162 1621 822 1009 1535 1021 854 1438 773 865 1137 1060 833 1154 1451 902 2014 851 799 1458 1326 1074 904 865 1272 897 2316 791 708 908 1006 765 1179 953 930 2288 605 926 924 707 1025 1166 1099 1134 1362 780 1055 1351 925 1165 661 430 1156 1256 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26150 28533 28587 38186 37406 42617 34118 29941 30626 30449 29312 29934 39473 42804 40500 32096 32502 35663 33402 33518 39895 24568 32830 40579 37035 23458 35344 34353 31007 24903 31481 43358 35708 40943 39239 37523 28722 32646 29823 32675 24742 31383 38780 34068 32359 26407 40359 38515 37649 33531 39148 31525 42442 29074 33907 35894 28985 23545 30206 44197 41755 28131 36166 29786 37006 49934 31929 40063 39946 26959 29915 40726 31940 34871 27185 38134 30338 39185 43518 28201 40594 30701 29782 25698 42693 34803 43621 39685 29312 32135 28148 31628 36046 39800 34948 40186 30719 39398 29497 24051 35862 41894 19949 40150 33501 33779 43495 31950 32282 35971 31393 42801 39947 41963 29396 21109 35418 32770 40836 30732 41313 30737 35282 31791 36397 30262 40121 32908 24374 24210 37256 39145 18768 28675 38481 30853 36194 24581 32608 21828 32453 34829 24358 24304 36416 26036 41299 29030 38167 24575 50651 28335 erythrose 289 285 256 355 363 283 260 164 313 264 480 395 330 291 129 270 221 222 308 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280 242 130 239 237 183 216 224 286 290 385 198 231 330 179 241 331 243 318 192 113 73 240 237 298 250 99 358 267 222 303 185 153 424 230 290 191 307 238 227 192 236 215 337 183 257 263 234 136 303 259 303 297 295 205 400 441 258 266 88 207 227 226 336 267 229 208 295 263 349 270 383 111 285 152 334 234 249 113 329 180 231 185 245 154 363 erythronic acid lactone 539 172 174 744 635 303 331 165 1323 215 684 259 425 450 127 375 360 498 319 196 236 662 558 250 887 517 703 146 582 166 135 294 590 170 954 855 171 555 222 633 151 244 230 208 237 205 898 728 741 277 266 168 1437 237 174 368 213 478 585 151 1648 473 212 153 197 161 407 1309 728 582 640 585 199 152 293 804 613 1575 426 1135 961 145 415 0 224 255 216 233 240 221 169 201 170 199 233 238 236 310 216 181 178 189 241 269 198 278 289 602 193 179 172 197 111 375 297 964 157 163 172 180 145 197 180 325 217 174 201 182 121 188 107 111 160 203 353 194 165 134 123 147 179 174 180 214 119 220 211 219 166 203 289 184 208 288 160 246 177 213 268 120 184 154 179 151 180 193 358 210 296 820 162 182 136 202 180 172 218 164 232 675 174 101 154 243 150 155 156 265 370 144 144 147 246 193 189 116 268 336 145 219 167 185 233 265 162 306 166 145 188 150 165 159 207 255 223 277 191 167 183 231 143 234 277 231 349 253 167 165 187 143 227 335 309 288 367 185 221 171 201 127 159 196 269 196 344 284 251 491 245 352 148 436 354 434 506 392 292 235 385 203 245 321 275 285 144 259 323 242 587 213 240 276 249 232 251 187 191 278 340 275 279 251 182 402 148 394 169 228 217 152 212 122 360 328 223 283 220 240 190 128 294 185 163 285 221 366 156 505 297 226 148 200 198 365 240 457 189 300 242 203 327 218 278 279 297 322 362 158 171 223 196 214 383 233 231 304 198 176 373 277 217 208 149 284 175 340 411 167 151 227 173 228 107 175 188 237 enolpyruvate 271 204 257 258 223 231 282 319 325 235 266 268 265 214 279 260 258 253 248 251 236 254 300 205 278 246 247 226 221 316 344 236 292 204 373 275 237 283 201 240 186 276 195 327 178 249 447 420 194 259 270 256 339 220 189 278 232 250 259 204 278 288 427 194 240 331 241 220 391 273 217 255 218 274 283 488 320 326 213 244 233 246 1240 0 301 287 241 369 293 195 200 236 196 293 377 299 351 316 276 220 292 196 330 350 280 342 431 244 243 303 305 281 200 222 312 317 283 259 259 261 263 302 211 277 351 324 317 233 232 270 270 275 262 298 331 296 261 221 230 234 235 324 295 277 262 220 265 266 300 369 287 318 274 308 300 301 204 279 294 369 427 314 217 279 238 262 277 559 470 531 327 271 260 235 235 270 335 292 290 306 572 407 362 230 360 257 317 377 257 292 272 309 211 365 273 325 485 358 317 269 272 197 270 320 289 366 253 306 274 230 222 281 451 366 286 321 301 295 253 388 328 203 344 327 247 328 277 304 377 262 216 251 476 359 269 294 263 266 235 136 318 461 336 293 193 464 342 330 300 351 308 379 284 225 387 210 444 166 422 403 341 312 210 360 378 227 185 309 345 365 264 292 313 232 269 245 312 332 364 376 209 322 357 260 408 275 197 319 339 248 270 483 452 243 269 232 287 297 261 249 302 211 246 347 347 281 256 304 292 255 316 237 289 363 214 298 285 310 359 284 266 339 259 408 347 368 414 288 304 233 434 302 293 320 348 266 329 223 322 422 371 374 169 289 282 414 261 229 194 545 452 292 310 257 402 429 docosahexaenoic acid 980 814 1213 636 558 580 564 1484 533 379 1803 584 588 2340 1399 585 564 666 481 828 1038 713 1264 824 1120 621 2370 624 629 693 713 371 386 669 670 613 329 856 1094 495 1331 819 487 664 513 1434 1257 1040 644 290 849 855 1317 346 1170 674 385 561 635 1377 1400 3003 735 700 708 434 462 1798 607 685 641 1355 480 932 579 788 1202 176 496 1771 1367 806 1085 0 1418 795 1566 1230 809 647 931 357 1321 689 750 665 1278 819 1533 679 1150 477 730 599 1166 1499 922 910 450 983 894 652 1406 1104 2063 1218 929 721 971 1491 1234 1323 419 694 767 793 614 1255 1591 729 896 799 636 635 749 889 1112 1231 654 1378 861 865 773 643 817 489 756 621 971 907 1123 739 876 767 816 734 633 894 826 357 1622 663 883 1038 512 729 503 493 891 1390 721 634 722 521 693 940 734 488 815 660 971 1268 408 657 792 1138 1460 1274 1417 841 640 293 139 1727 1244 945 1213 953 770 767 1046 1022 748 624 880 904 341 798 1700 762 1037 545 512 441 918 740 319 952 688 569 760 998 857 965 1169 1055 694 2975 681 660 613 798 664 2277 498 1422 1155 703 667 891 623 551 1251 1137 530 768 1821 1045 1574 705 886 1155 1528 704 1273 479 696 613 794 1823 1254 587 341 1017 911 890 508 714 770 1030 1245 882 540 804 710 942 1008 902 192 921 1068 1391 1956 898 995 579 243 406 2027 1616 448 1076 742 987 920 350 881 1415 339 450 735 546 612 644 435 2264 956 954 625 662 168 456 742 651 635 884 720 760 1048 1200 571 2408 268 379 1080 471 464 1123 758 704 1612 475 347 334 320 848 745 654 808 1183 658 1137 599 951 878 323 747 603 304 1151 1144 1553 850 575 1204 847 dihydro-3-coumaric acid 2374 1989 2339 1614 2194 2444 2677 995 1188 1139 2910 825 3616 1016 679 3477 1538 869 762 1555 2032 3266 2539 1328 1640 813 1629 2118 1084 1555 617 537 1074 1713 1328 2140 899 2285 2090 794 1042 639 864 1130 454 4100 919 1725 1152 533 2438 1171 1723 6854 1487 1681 1441 679 466 417 1955 833 1959 2554 960 2306 7347 1101 2366 673 1300 714 629 637 1300 680 1576 1873 1840 741 1215 1976 3491 0 616 1005 1261 1477 546 631 3216 834 800 1077 832 1583 2240 766 670 543 820 3785 673 2792 907 905 2445 972 2493 2917 1389 3049 1122 1134 743 1433 502 600 1647 607 2677 1527 461 533 1152 4527 245 2214 1224 536 1594 869 2816 1608 739 821 1416 1326 1458 849 493 1012 2608 985 2451 1009 1085 802 1034 1410 616 513 1276 1056 1099 560 1344 1267 789 15460 1478 2523 1943 1106 575 1152 2622 6030 2498 2967 2562 585 833 777 648 1443 2130 1844 1491 821 1633 2560 2227 873 1762 1987 1584 728 679 759 1330 3187 675 846 982 1781 658 642 874 705 878 1391 579 1354 1162 631 1592 2943 877 731 1462 899 1111 1328 1204 591 694 336 3565 1142 751 1660 1715 1317 1172 694 1115 749 714 570 1723 1138 661 867 1485 939 1235 1654 783 632 519 1279 721 612 1245 625 556 1032 522 1247 483 572 814 2244 791 926 858 646 1069 1134 1860 1255 650 1084 687 1111 556 2443 1328 590 847 487 508 1310 1283 2007 1642 888 1089 603 800 1143 480 1544 1756 1014 771 676 539 1184 609 1853 758 1102 1770 1023 2300 1357 1114 723 1181 2594 735 1053 2418 1008 607 842 842 814 1175 1561 794 1339 1136 835 1100 1174 1153 960 887 750 1084 1613 778 1201 656 768 1249 475 607 2305 851 2293 1321 935 1030 548 1795 684 1933 772 928 1480 1298 1757 441 1554 1274 879 740 2086 1688 780 904 1057 deoxycholic acid 119 166 102 22 467 199 159 237 63 584 150 161 491 57 202 515 119 714 164 163 64 234 1002 218 406 63 75 177 738 255 363 178 220 95 185 96 364 310 195 135 1125 317 368 177 141 526 517 168 78 250 452 1072 131 155 337 96 309 386 956 70 946 160 1098 326 1050 248 97 255 101 837 80 96 543 153 85 82 165 143 131 418 171 162 285 0 133 195 104 99 88 294 307 153 404 277 130 117 102 89 312 419 119 257 189 156 185 116 54 74 238 57 190 79 185 57 184 33 703 132 383 399 118 132 964 190 228 198 287 62 153 63 459 442 190 351 400 341 295 107 576 116 74 151 630 220 322 89 272 148 425 44 165 166 94 155 356 411 120 119 321 224 116 150 251 162 125 284 89 68 140 152 358 76 170 208 501 127 291 77 292 159 525 96 375 356 306 450 325 189 319 260 315 129 291 273 144 92 521 76 258 177 289 688 102 401 71 218 247 290 145 114 296 123 524 52 99 79 324 106 140 131 51 108 155 264 115 414 147 84 62 305 229 207 88 210 330 143 290 247 185 452 236 113 112 500 280 332 142 152 236 317 57 73 304 1130 149 816 319 46 134 89 642 152 140 310 277 102 210 554 196 152 184 61 63 1041 331 45 370 46 40 171 152 109 182 481 375 169 25 327 259 664 113 141 140 314 87 373 269 168 223 952 198 148 206 703 126 185 150 166 785 169 169 217 662 174 315 157 158 235 231 378 136 170 329 348 148 130 629 256 54 166 114 329 250 248 149 142 192 207 214 111 280 149 484 245 124 430 293 454 315 31 266 135 208 606 658 38 delta-tocopherol 114 1488 245 162 149 145 179 349 183 133 115 222 165 76 334 374 301 242 145 346 317 155 82 306 222 154 119 288 219 449 205 135 238 167 61 231 150 238 314 143 147 251 130 182 175 154 373 284 141 258 152 322 99 232 221 245 215 69 187 241 127 330 217 222 274 148 122 62 183 67 213 250 71 495 138 197 217 138 156 207 363 195 555 0 236 429 402 195 100 253 156 192 182 99 129 315 398 294 257 200 371 257 215 297 296 183 180 180 318 203 147 152 552 181 107 136 255 300 375 307 131 96 202 190 155 328 774 76 239 260 252 152 342 195 432 307 347 430 233 169 456 125 133 307 199 160 94 212 217 238 155 79 264 316 524 178 241 236 101 216 321 504 174 127 286 318 229 213 227 175 112 175 134 157 290 240 238 217 144 42 240 165 179 101 177 621 164 300 197 163 141 109 280 243 676 200 330 170 483 234 170 500 207 188 237 270 88 122 184 746 346 146 139 131 199 137 284 126 129 267 375 178 503 236 222 313 129 167 137 281 297 94 243 200 398 324 113 293 161 308 168 257 373 202 259 188 203 298 174 131 214 436 205 107 253 254 840 347 164 319 197 247 83 141 295 106 315 231 111 254 139 126 334 203 256 304 236 104 349 67 179 102 169 323 273 269 198 329 178 284 263 182 220 158 269 265 330 279 152 190 313 222 205 233 450 344 299 219 264 140 117 193 278 307 148 115 153 260 208 137 226 186 262 192 146 163 506 311 86 77 314 247 197 208 30 155 676 160 152 107 150 248 165 239 236 313 270 375 168 299 659 201 299 222 398 1453 cystine 36809 31400 30469 34037 37582 32227 44692 30612 36573 29423 34241 50862 35351 28308 31699 36824 34276 36961 14980 60514 34727 25209 51141 36535 39626 43853 36161 35372 33556 46800 47026 39790 19645 62558 47483 55050 30247 31378 42807 43372 39462 50043 29506 40692 52097 34358 37063 55027 44017 32354 41738 29439 36736 47682 32314 44974 31982 57096 40414 35443 35195 43354 29701 22850 24648 44291 52898 43763 55461 49845 47653 46263 23889 36561 49666 37026 43726 44352 33001 39234 39330 23327 7888 32652 31481 47302 23232 28599 44987 34304 34792 32124 20348 37002 46405 36782 39239 35293 40130 35400 23181 37914 34998 66367 39879 42101 46897 35749 37854 27313 31509 41058 19154 35257 33305 42851 25581 27419 46977 20332 26034 32337 20691 35435 40335 55009 37179 40549 21861 29356 29657 44016 41364 41059 39893 25811 29277 34758 21234 27992 40519 43640 44166 39149 33943 36185 47560 31551 36031 38698 51992 40889 36447 37658 36240 22327 28071 30727 53003 26950 49463 34276 43523 32792 23578 45224 36823 36848 41117 49915 24283 17256 32032 29168 39658 53296 48367 41019 50060 42069 23371 32603 17871 24437 32308 26780 48865 43009 34759 30071 25716 33726 34730 33856 29539 47215 45995 29483 26050 23238 37440 32945 78115 49907 35327 36982 30332 25016 20586 28418 42189 76977 31189 47252 37846 29466 20368 34786 24250 29298 23987 36961 41016 44728 40799 28396 36075 20527 25117 20628 40461 47169 37226 36204 42084 28364 31932 30105 35807 44937 25693 42501 34052 43782 36788 32112 37389 46017 35041 39091 40610 31729 47926 36269 56399 35264 52431 30688 49045 37267 49212 41690 38919 52719 44002 24869 40463 35875 47259 26743 36206 47973 40124 34048 45485 39854 47510 33161 35341 44892 37016 25013 41617 36396 38632 42592 37043 28978 44746 36676 47072 41749 39792 43026 41689 35843 42004 36610 31797 31751 42745 27614 47874 33944 30479 43112 51167 57296 39935 53393 32226 38875 32410 39530 36039 42290 55010 31297 34918 43133 38510 43457 37294 37320 50650 26517 34452 39041 48147 37007 38825 23742 35013 36806 35839 23904 16297 43383 35038 62994 37759 25356 28962 35884 40439 45499 39240 39897 28774 34033 41884 45655 42036 42779 48236 38296 cysteine-glycine 1422 1302 1077 987 959 1136 922 839 942 1274 1202 835 756 868 715 933 1169 1024 451 1196 1195 699 846 990 846 1019 1161 1139 1054 627 1109 1019 539 1086 1262 884 1424 665 1156 1253 1500 554 898 1136 1233 822 1094 893 1059 1226 1280 1428 1029 710 1576 930 905 1180 1022 919 686 894 1760 1736 1542 991 952 1597 898 1073 723 774 1674 1293 1004 800 1017 802 608 820 1192 936 600 0 1241 1307 671 621 1136 871 925 945 809 1104 698 657 1117 793 841 986 928 1265 1234 808 682 949 727 1121 1268 1189 820 545 672 663 1299 920 734 822 653 1132 809 883 517 689 704 779 582 692 865 612 725 821 571 678 585 1496 886 832 857 999 485 991 713 1058 657 693 715 871 693 407 656 692 752 804 819 1192 493 612 773 737 702 583 449 816 883 630 614 1450 546 508 558 765 770 623 411 803 899 507 913 504 498 698 346 962 733 728 719 504 1115 914 1101 530 585 782 656 652 502 1169 635 707 718 543 969 1012 619 688 637 640 733 838 581 1087 1140 883 586 730 1145 616 595 915 540 928 804 780 666 1030 744 1041 1658 436 895 916 1037 903 1038 975 890 905 796 697 878 647 1039 1270 1011 464 999 552 702 485 906 952 584 705 912 584 647 291 538 794 646 810 726 970 899 700 816 706 526 979 913 808 1235 475 634 525 553 671 340 991 947 1433 1134 766 864 584 472 475 1494 1784 1176 609 838 590 574 546 512 1065 891 526 688 722 570 631 549 683 1085 852 848 470 380 567 656 569 516 1112 674 706 563 1181 631 887 487 573 1141 1298 1092 1073 769 808 1477 886 1047 1231 968 1861 481 685 1654 993 1058 396 647 913 1689 910 1249 829 545 904 1036 817 1442 949 692 853 cysteine 29570 27671 26578 32269 22007 20254 29676 21960 28402 23725 25154 32301 28212 15079 28701 18853 24397 26506 28378 44934 33291 25891 29222 26473 24590 30883 16183 26062 31640 32587 31694 23267 19732 25662 32456 25678 31646 35209 31315 31746 23552 15618 23988 25682 24459 35887 28995 25014 51901 22603 30528 27044 29624 14047 28113 20937 31787 33006 26402 27811 24654 19912 42129 36977 27862 27298 22275 29549 17908 23391 15678 20931 47886 46612 32570 39838 29540 20271 15815 23949 21954 48046 8818 27263 26354 31984 11887 12280 26021 25593 22372 33803 40368 18877 21738 16121 22731 14380 22433 36372 17051 41246 27006 24054 8153 28771 18066 22665 40800 20959 34109 7713 7914 15062 35151 17306 14797 33035 19723 19235 9114 16408 17164 21414 15272 9994 30165 9618 12672 12030 23554 14168 23792 19723 14723 47363 24609 24948 16996 18352 9561 28577 12071 31451 10653 21153 23758 12894 8294 10678 24356 21034 25701 18353 24139 31364 10524 20400 35050 11821 6437 15316 9220 21162 17220 9378 24085 25929 9538 11914 16703 24435 16348 16274 12703 17720 21235 4942 20331 14128 12150 5367 14407 18989 6917 10828 9322 5337 10246 13360 9826 16752 12699 15793 9728 6162 5085 6620 12775 3816 11713 7319 8867 9352 16454 15572 15915 8378 19081 9876 10676 8410 7745 10832 6480 10401 16208 2715 11752 5645 14730 7254 6049 5452 8495 16414 11682 12310 15380 11069 12335 16325 5028 20440 30417 10680 3559 5497 14298 6955 11482 5747 5311 24941 19209 3589 14943 14468 6850 11876 16681 5335 4593 13370 21329 7640 5385 7553 4443 5079 6648 25558 13305 6454 4811 7048 6628 5121 10759 10707 12672 20499 17308 6381 20325 13586 7986 5029 2734 11504 16439 7646 8748 11379 6303 13941 8652 8115 10929 29312 12544 5536 8108 14732 9992 6191 5209 6052 21098 13058 1774 6843 9379 6594 5173 5260 12389 6956 15428 10692 6837 9804 12135 4168 11686 16098 10104 6318 5682 7706 8944 5292 6632 4682 6886 24463 7058 16370 16882 19410 11629 28106 8598 31263 19144 29192 23960 10901 27368 12681 9010 6035 15597 29282 43528 10131 34158 6265 16614 9279 15067 29358 8066 13289 13361 10390 cyanoalanine 855 480 635 1211 615 1437 1212 633 1094 1616 743 1171 974 936 631 1189 517 918 2014 602 1079 1522 1489 1507 2069 919 1023 387 637 666 897 1111 1364 595 1394 1300 711 1813 1424 953 932 374 915 956 909 873 502 937 892 751 1058 1292 995 580 483 711 1170 740 928 689 858 957 1457 569 775 1027 496 702 1017 612 612 359 499 788 887 1306 625 1252 824 870 571 650 275 0 1214 1096 723 933 806 1051 707 1009 532 1025 1197 1167 1195 928 834 966 595 807 787 830 421 852 954 1053 637 793 963 546 287 685 914 806 644 709 745 744 427 771 803 926 617 516 814 362 591 960 560 501 724 1150 505 829 352 562 643 722 890 1166 669 1010 588 700 557 630 404 687 600 911 948 1294 459 701 478 712 1072 744 491 628 389 389 696 714 553 719 631 922 585 577 832 704 547 1183 509 536 957 1048 640 394 831 944 537 333 451 740 640 1313 603 597 855 762 339 365 677 419 709 627 695 425 440 744 783 833 483 609 528 425 467 269 792 717 562 577 443 367 341 411 594 793 639 488 525 796 520 418 508 689 473 626 520 1080 929 633 572 420 586 958 858 922 692 844 467 816 864 812 575 904 877 493 475 1067 846 393 763 985 766 809 664 1149 740 1084 644 578 702 390 624 662 542 738 531 899 934 938 777 495 578 512 482 483 899 810 516 804 494 513 605 485 552 759 628 394 481 508 312 493 886 641 458 482 723 671 658 311 468 388 642 670 677 521 592 619 743 357 474 871 564 229 499 510 849 558 587 1253 564 478 603 526 553 763 559 680 1323 448 399 502 643 811 538 274 477 901 930 729 680 410 679 697 568 656 439 582 490 555 creatine 49638 39719 36114 54683 37137 74590 94906 75125 53784 85317 68753 80717 42110 32444 81676 81532 36365 57867 86738 41288 67733 73971 63224 105643 72903 73887 28933 43294 54953 38241 65830 85909 75527 27465 94609 64021 81026 77511 71390 45968 53609 41950 42202 80440 92719 80298 48767 37537 51330 81688 89650 93977 48031 95233 58203 50226 38476 51423 38935 27763 67404 31381 22763 64411 98379 51553 107666 38318 47752 58748 40549 39552 29498 35677 94233 29430 44724 33214 50147 56324 35984 36824 7538 126111 93046 109824 57445 23912 42926 42689 48145 44013 32663 86164 67949 94171 81034 67897 62917 44487 29056 56293 87162 36840 31168 74843 90601 59947 62292 19716 43171 25559 26938 81764 39432 53314 53589 46439 31332 40986 28622 31910 29509 59174 31953 40256 32759 21315 39471 44639 32817 43850 44532 44525 67786 53890 33101 30830 38732 42730 43188 92166 51111 79934 32337 37044 55038 56424 44302 38795 41436 44324 63275 95132 41185 60225 46162 44068 78605 149229 26924 28021 17844 41272 62140 39944 36559 183629 23667 26581 18409 14722 65919 40038 27763 53280 21340 24465 88087 51162 22960 11824 18933 58206 14847 19760 32564 67366 65954 87439 65593 11022 109953 19688 15120 33652 71837 53970 45687 103899 79445 35226 126029 66016 50689 57556 26828 30423 46281 55617 47006 137356 70579 51228 50651 50744 65241 35628 12760 53907 48449 45724 56728 69851 48546 103827 41040 46951 87915 41791 36454 37347 75307 66619 65425 64112 43329 40437 42578 76176 90325 90719 89470 42548 30801 48479 63153 56743 65601 39610 66442 50134 39477 75821 41863 44187 74045 59665 87871 71190 65652 122661 78898 84086 52852 51182 82639 82477 57776 55739 40013 32123 47250 94789 46478 34137 60129 96913 32735 89306 66098 78082 65097 67271 50636 81068 52879 44966 53543 56540 56311 53045 63872 29947 35184 63308 36152 43380 45219 42861 96279 32555 69839 81892 58163 40424 60824 56922 43639 47903 40483 46672 65157 92765 49433 42004 56639 74374 61958 64594 65489 101216 42481 71396 107051 48929 72893 33045 48523 44441 80216 48108 95534 86982 54194 40551 59180 49355 33977 71362 90097 66760 42568 83159 91523 93357 69133 41579 36907 62188 50657 79938 79882 50790 44624 70787 conduritol-beta-expoxide 4412 725 2599 7778 951 2221 1579 873 5388 1201 3340 1812 3097 1896 733 5654 1393 3929 1679 1095 3943 3060 3431 1090 4997 6930 1981 1338 4014 534 1679 1673 3150 971 5715 4687 567 4286 1500 4127 930 507 970 1961 1180 3054 7938 6222 4738 669 3423 3467 4158 1834 889 1967 906 4346 1896 756 4270 9035 5380 3619 3887 2583 2019 7533 3278 2393 1724 737 1844 876 2508 2205 2477 3494 2636 1211 5826 1575 1401 0 3524 3141 3478 2669 2944 2183 1956 2641 1352 3639 2140 2271 3488 2708 2835 1710 2411 2110 9196 3214 1234 2068 5625 5054 1639 1750 680 2655 843 6572 3469 7146 1199 695 3288 702 1882 2387 399 1175 780 2115 1977 2061 940 858 759 1359 862 1027 716 1368 899 1258 1493 965 656 1886 2882 1858 934 1562 1381 1563 1140 660 1743 1488 1339 2060 1729 1500 2503 1403 1554 3834 2354 829 1416 1433 1515 2351 3388 3540 2530 1846 770 1187 739 1374 1139 2727 2115 1001 1078 1451 1149 3939 1160 2053 937 416 4064 1988 3608 777 1834 3456 2764 819 395 2744 1928 4333 1832 1099 2743 1424 2177 1257 1364 4120 749 7874 3439 1453 2356 1998 3119 1141 1354 4883 1081 2499 2543 2870 1024 1138 6339 4799 2241 2121 4310 3130 1394 893 1520 4467 4116 3301 1252 2527 5072 1584 4203 1220 2354 2501 1436 1532 1859 5020 3305 4523 3035 2793 1116 3742 2177 3083 4500 1139 2194 853 3115 1244 2424 3993 808 2856 1598 9635 4556 3768 6009 1152 2002 3423 4083 3575 1246 764 2538 3022 1869 1598 1314 16352 6123 3711 2284 1278 1774 1088 4677 1291 1328 741 1189 933 1156 1943 1605 5398 4587 895 2431 1106 903 2361 4184 1241 782 1529 1669 1847 940 4190 1364 2057 3243 4587 1134 5574 2231 818 2011 1338 3480 1759 3253 1038 1545 6393 1075 439 1761 2657 1513 3394 1553 427 2185 590 469 4048 1893 3430 496 1120 1832 2412 2635 624 248 1348 1569 1300 999 729 1515 1346 citrulline 19217 15579 14001 9571 16162 10898 18147 14640 14241 11293 15678 21693 16997 18720 14276 15407 12914 14406 12984 20898 18753 10800 21576 21196 14432 17279 17975 11306 13446 15894 21082 23826 10740 20615 12927 22373 18435 12830 19655 18895 15466 15484 17953 18533 25979 13770 16512 23395 19884 17987 13418 13128 22396 22738 13106 25129 21169 17651 18801 14546 16054 15199 19342 12886 15724 24926 21286 14347 25348 16195 21107 10205 15106 22185 18331 16651 18688 27572 21119 13997 15746 21410 3736 10505 16979 18377 11612 16093 20009 14286 22195 19035 16982 26895 21779 18218 17626 14564 16283 20324 23601 11837 19994 28606 13548 22155 18813 16902 10832 24307 20489 23530 12028 16972 20278 19734 17527 18063 21625 17414 18767 17956 13240 21036 15166 27382 20930 18124 16474 24007 14106 24895 25280 31773 21444 22370 14544 22239 13788 19386 25956 20305 26478 23022 31198 22033 15475 24650 21605 16765 16921 23587 17442 24810 21869 15566 15975 21486 13931 20836 16917 22895 17120 14698 19309 20240 16694 20662 18720 19055 20100 16195 18609 18454 15389 20336 13925 25818 22504 21724 19004 12529 9694 16510 18789 14979 16538 19462 17110 17291 19872 14297 22388 15836 14360 15470 23948 15715 13870 16272 18856 16039 18918 24886 19754 22539 19082 16083 11608 16236 18241 17976 24163 26475 20825 16656 17439 16965 13209 20595 17076 21204 17047 19866 15588 20326 17367 13342 20180 18462 18931 16715 24021 19381 27827 20777 18966 18643 15169 19951 20319 28519 20447 26072 16316 21719 19840 21898 22348 18464 25040 20405 16414 23519 17298 15980 20427 19923 22542 18227 19627 25752 14961 22125 25895 13498 22794 18085 22559 22371 15450 14480 18922 20743 18396 19983 20983 18664 27586 16586 15791 15493 19596 22454 16441 24475 19432 15881 18092 16978 23063 21376 19930 10071 13505 21092 19211 15834 17186 15085 18798 22560 18432 15492 15011 12959 15465 22149 18402 19018 16577 20032 19028 24207 18979 15831 15168 15038 14956 14998 18606 23594 24224 18495 23719 23174 17947 15072 15305 20908 17931 24457 27394 16117 22389 15431 11569 21382 19479 25616 25282 10061 16205 18379 19256 19918 21770 12385 15864 18244 26029 19399 18047 13146 20874 20015 citric acid 79972 54429 69314 88978 71753 73822 114781 79003 71303 59088 84476 91008 79757 118281 121383 85625 50121 45869 37993 98251 93717 85115 99301 121714 61858 82507 125188 55145 49555 78653 66664 55636 44139 97916 71682 98856 49053 47697 101023 64620 74538 63773 61133 74899 52415 72847 72220 51740 79124 50814 65215 45482 77209 51044 77327 77981 71565 68275 59299 110584 95174 61736 52727 45521 43648 58497 54135 80676 101141 74375 81178 77040 56564 125180 81023 102059 105071 75149 67973 86471 66087 64520 34648 55792 78155 79207 108662 89702 101849 59571 55045 67828 57208 65579 56114 66963 75068 95301 102972 62969 137783 53393 98185 82433 89886 66498 81591 79027 65443 91189 105006 81812 44841 53161 87898 118790 57778 96647 80472 60840 66883 79724 64461 61489 103445 74526 72024 76349 68060 81680 72040 83583 67861 70192 80381 81582 75708 58873 63363 65090 62290 113613 55349 88674 65610 75060 75272 83662 85701 96629 74592 71907 65614 110509 90518 82522 58846 102923 140455 56331 107303 71442 98450 61457 65017 96453 73993 74179 98772 79379 57374 84831 78915 54279 69709 75540 98529 58739 103297 83597 59507 140139 76300 52822 78061 73708 131866 112726 101148 56400 81707 71614 59413 83510 88462 127883 100588 75005 49910 64873 90862 58121 85679 66607 62233 72598 98902 79715 70840 59652 91217 87798 91441 78367 68059 105404 73237 70694 94127 83414 49989 76004 85924 77439 69585 75665 58226 126713 63404 45378 92220 74681 104530 70811 58070 97245 88338 67046 63376 109336 69741 67066 81102 78586 51560 104236 120685 65596 52877 65270 96472 115506 67171 55614 114571 51800 103321 52294 64208 81878 78942 48126 67385 105770 86319 80895 56748 85361 67889 142649 69575 85269 96870 37566 55069 75074 65126 68266 56650 98766 93505 83659 109182 73586 102576 54443 56179 50137 117060 95757 93536 71755 53639 85478 68772 53686 73718 103995 54547 45093 78277 71448 35311 58527 69795 108665 81095 91857 53678 87758 48743 65116 52554 57295 50652 125340 108628 93185 120624 82152 59525 103906 102013 78679 86625 141562 76655 124043 94468 69656 120274 93500 50608 57323 121584 95272 59362 59778 104881 98231 75531 77968 75090 89030 78675 86940 63034 70402 66786 64299 70431 97286 70691 74496 72988 77280 cis-gondoic acid 98 89 95 95 45 43 126 126 80 52 172 65 73 266 242 46 45 60 68 94 117 147 175 174 52 101 234 54 114 128 167 74 71 95 103 134 50 64 153 9 117 67 48 68 52 78 153 72 168 71 98 116 176 30 103 84 51 119 40 260 125 274 102 75 85 85 85 294 45 137 105 160 29 148 74 119 107 71 66 143 240 127 135 0 162 125 298 124 111 49 76 73 107 73 44 60 177 122 172 121 323 112 79 75 168 129 139 193 86 125 132 76 92 151 135 121 126 161 102 51 135 123 59 107 143 57 42 153 106 138 135 89 34 90 193 143 114 125 79 212 122 38 33 137 126 33 198 103 47 66 110 95 72 134 137 105 127 71 235 73 363 53 101 133 66 68 104 72 157 199 113 52 91 65 81 116 191 51 99 123 143 62 96 42 91 138 116 227 197 68 97 43 38 192 88 108 150 78 149 156 117 73 87 161 99 97 116 87 285 39 119 83 92 42 140 116 112 116 59 98 143 64 64 118 155 98 74 442 84 107 121 131 100 147 63 246 210 130 99 92 71 75 139 104 49 141 256 94 73 133 97 164 238 48 251 81 129 85 127 186 203 71 76 202 77 204 73 123 49 148 147 137 146 55 70 137 114 151 75 164 158 250 224 179 223 79 75 40 217 302 112 145 85 176 83 110 88 142 37 66 172 62 51 89 101 279 105 136 100 93 48 59 98 67 96 293 113 149 194 161 94 224 117 110 95 136 75 346 68 66 285 141 33 93 162 100 68 79 116 187 165 96 63 144 195 100 113 88 65 185 120 283 112 66 173 188 cholesterol 788906 1054767 583136 574559 530584 493403 496979 632959 479996 897426 1033003 650947 607241 416362 549553 541417 390116 493967 801351 820177 698370 558068 741890 513519 476871 519781 540139 752879 653780 621856 688042 398218 527277 476724 506774 592525 711345 859051 559968 645954 519052 607375 391193 611396 374323 769491 1099119 684520 452758 402462 628926 443497 528653 534526 1183314 1072818 786376 576970 530016 364147 491655 495242 641262 1488994 814010 825423 528573 525225 686932 448864 426107 520485 855713 974690 758239 472657 542215 550484 541590 644574 554730 739940 4605118 738998 1133257 608626 668656 502865 529006 743366 1075349 971359 1045866 858033 627333 545334 622762 587491 960318 896051 869919 1178628 520010 548495 646349 702795 574465 829499 1209001 839930 854628 393050 1471462 673351 621752 478921 961321 1020914 1082556 1151056 892961 1070764 345792 512108 416909 964349 831244 892399 1136121 790988 595902 647684 599581 546954 1089784 1061688 652522 998641 941503 897078 594406 629184 557740 624557 558210 955705 916480 1005856 1188767 655954 481270 495349 828421 655063 1043778 620883 968676 929766 528455 553864 633976 1328110 536303 560428 444601 607253 501642 597714 713152 682171 569111 678832 491364 560876 538875 442339 640686 695123 566844 673116 614756 603730 333240 448045 593308 513989 550346 531383 715757 492526 595974 427416 375231 649815 518171 509911 561818 756324 641970 639753 459553 971349 501450 554574 515707 643716 452252 824928 659547 930487 570782 457841 638110 514946 647962 626662 579033 725084 474295 724633 576192 498333 767586 604488 626929 511271 576790 497797 742415 569384 452261 626339 692194 474934 525501 861960 681381 602693 590712 596325 489060 619604 597146 573076 450587 601244 627213 498133 421092 389560 493673 559542 690067 426562 538474 510981 463774 398411 487684 520903 543419 634027 441386 565589 679060 531775 466515 424631 511358 457304 689032 485132 482061 502318 472951 485585 505075 442530 449460 636232 503908 790536 617043 555643 496597 451688 322722 383724 653352 478131 434291 573718 579555 351917 444255 429413 505183 699087 399475 457088 634416 547094 353579 457078 539240 514782 511953 546013 531553 583027 482175 429678 519995 406083 399294 638774 577619 592643 570884 482584 498491 665384 418369 509581 661497 505331 634818 546809 337127 380397 596095 516745 417414 417485 475871 450929 367689 491779 487359 513006 573965 456995 617842 521776 581252 573675 543183 434114 440791 719364 711775 576401 621134 457605 751793 680070 cerotinic acid 240 270 256 276 162 313 198 230 2506 328 290 2313 259 151 311 2820 162 2578 352 190 284 295 257 238 220 128 254 399 191 259 202 206 320 202 292 277 109 315 197 303 192 245 275 318 493 221 270 285 186 197 232 1776 356 206 235 312 354 212 214 209 193 288 356 578 278 200 218 220 272 209 240 168 211 1547 297 195 213 322 185 294 279 105 770 0 350 2167 207 286 263 190 268 300 271 224 266 228 251 160 248 188 261 214 171 169 335 239 337 195 296 2652 195 218 264 225 324 233 319 205 350 2563 207 270 263 275 267 283 215 234 320 220 117 283 320 259 236 272 283 156 233 173 262 183 310 298 202 252 147 340 167 297 260 283 206 236 110 259 202 230 78 282 312 441 191 200 159 154 196 346 304 278 167 248 288 260 237 1486 296 179 232 216 425 304 176 168 201 139 216 253 4374 192 101 188 295 145 168 201 278 4466 236 278 280 200 158 77 256 280 174 226 199 254 109 121 220 197 205 400 162 2779 235 274 223 214 341 217 260 259 348 163 296 174 198 225 304 208 369 200 260 142 299 281 134 427 192 285 242 1903 3139 207 294 234 150 333 551 186 348 185 266 167 276 246 302 2121 136 398 169 249 218 166 241 231 262 419 177 234 190 220 122 143 249 243 208 210 325 544 123 164 129 217 178 278 200 217 232 234 202 2659 236 3375 203 169 229 228 193 177 177 285 221 535 253 135 139 306 231 280 223 82 224 266 162 2162 199 241 245 181 209 311 162 196 80 176 184 290 253 184 237 163 647 473 199 339 1330 780 242 257 228 48 221 120 207 529 886 304 193 119 304 269 catechol 88 122 159 202 385 163 268 101 127 252 88 214 292 244 120 142 270 115 303 71 321 126 374 232 398 126 262 282 66 182 197 138 364 242 168 129 78 569 117 229 121 75 279 138 291 159 232 728 32 76 114 115 175 113 104 151 397 340 208 112 171 157 766 139 104 571 326 266 199 68 195 74 122 127 95 345 105 1295 67 105 385 229 155 0 116 43 77 336 280 167 205 48 62 275 230 761 200 43 107 101 212 46 133 175 53 178 67 208 85 288 233 374 58 130 140 330 131 155 498 50 283 296 90 151 61 779 319 400 197 80 267 392 154 217 105 661 174 176 163 122 102 213 165 191 174 525 205 729 290 483 116 268 55 307 142 130 251 747 95 896 408 217 135 179 118 135 696 1258 606 467 245 162 182 338 164 110 351 165 156 176 504 274 525 94 130 97 583 516 330 335 345 1696 70 95 55 459 444 105 147 55 335 113 296 294 90 266 651 400 149 191 167 148 261 167 107 202 251 240 565 422 105 115 233 119 188 95 308 88 211 91 236 224 554 113 203 83 228 272 266 80 134 491 64 112 194 478 146 315 111 214 81 183 118 387 266 390 305 27 374 48 136 142 57 122 211 195 387 203 625 171 146 168 123 355 194 49 222 138 57 126 59 169 296 232 312 244 49 171 213 243 272 291 188 88 141 1936 162 182 195 219 131 204 335 167 250 84 115 179 520 317 280 314 250 241 105 616 208 359 508 88 292 92 630 257 150 213 1724 432 94 65 136 212 171 515 218 33 471 157 101 172 130 419 158 181 58 145 175 336 107 188 88 104 103 195 99 393 capric acid 1437 2143 1685 2408 2282 2319 1797 2021 2017 2313 2586 1766 2048 5140 1707 2404 1892 1994 1939 2509 2561 2483 2579 2970 1794 2117 4848 2006 1544 2026 2425 2229 2176 2136 2302 2064 1519 1837 2902 2544 2259 2255 2142 2705 1892 1871 3160 2096 2113 1529 2741 1952 3268 1674 2349 2046 1758 2263 2311 2919 2060 2937 1894 2763 1884 2641 1808 6105 2555 2409 2401 2794 1563 3621 2141 2879 2733 3214 3094 2082 4743 2141 5612 0 2604 2126 3671 2749 1671 1535 1924 2211 1633 1881 1949 2179 2848 2841 2019 2182 3313 1780 2119 2385 2170 3017 2443 3061 1585 2487 2327 2550 2000 2952 3176 2351 1739 2186 3064 1699 2212 3124 2558 2341 2837 1943 1545 2931 2067 1860 1768 2646 1800 2414 2670 2402 2431 2469 3611 2017 1524 2400 1813 2002 2272 1913 2184 2980 1945 2661 1719 2608 2185 2043 2927 2479 2025 3156 2051 1678 3212 2016 1717 1555 1629 1595 1354 2158 2538 2233 1876 1309 2310 1417 1724 1492 2513 1944 1721 1684 1675 2129 1536 1617 1401 1311 2443 1960 3784 1200 1428 1256 1433 1685 1322 1502 2488 2148 1323 1935 1248 1476 1380 2215 2185 2292 2389 2295 1927 1414 1351 1447 3223 1729 2047 2211 2250 2129 1894 1749 1312 1619 3295 2121 2786 2107 1116 7507 2012 1038 1550 2465 2481 2548 2078 2324 1807 2285 1608 1907 1968 1754 2459 6651 2012 2055 3276 1517 2009 1582 2071 2035 2365 1445 2493 1827 1630 2053 2370 2825 2576 1257 1287 1406 5450 2311 1692 2759 1662 2429 1623 1988 1391 1406 1798 1653 2232 1699 1748 1493 1243 2839 2165 1528 2077 2020 1744 1788 1812 2949 1739 1543 2134 1225 1861 1821 1632 2595 1151 1073 1960 1623 1166 1915 2230 2578 1282 2227 1854 1450 1289 1973 1936 1676 1445 2073 1600 2748 2458 1401 1567 2553 1909 1753 1920 2249 2439 2797 1772 1533 2063 2050 1199 1564 2203 2357 1576 1519 2015 3383 1605 1671 1489 1421 2067 1554 1741 2742 1367 2659 1803 2041 2271 2163 2874 2851 beta-tocopherol 191 684 99 160 242 232 241 240 247 199 169 333 446 136 412 323 212 320 255 452 118 380 374 335 1903 226 92 359 327 325 1541 209 238 2129 253 285 302 304 400 135 108 248 357 293 245 205 403 181 143 176 209 199 139 1830 302 406 421 144 176 311 52 310 250 239 469 254 276 103 304 294 182 949 203 456 229 248 317 124 14 175 246 206 425 0 192 220 254 276 211 319 258 209 245 282 164 159 100 182 423 326 422 582 186 212 464 256 368 324 533 152 173 173 543 285 170 175 364 258 303 293 91 208 528 291 243 2750 328 223 316 215 732 242 307 315 265 434 278 364 289 389 181 339 241 321 196 280 201 344 368 203 223 713 167 216 413 293 418 234 176 660 192 615 221 150 304 356 203 421 180 244 192 230 95 187 272 267 473 336 177 329 329 255 211 214 144 278 304 206 335 232 403 120 80 272 383 284 217 232 349 229 186 324 2641 330 191 385 178 202 205 614 302 1834 242 266 173 335 295 138 146 216 300 199 586 227 246 336 233 222 359 137 312 104 335 177 298 283 216 269 256 347 238 204 213 169 276 262 169 172 152 161 1869 441 174 148 2452 293 229 273 197 302 110 212 126 190 276 190 170 578 270 575 132 90 281 149 161 404 178 183 254 226 377 286 225 474 359 277 43 215 169 243 209 457 334 163 500 231 113 349 122 155 212 404 294 264 293 127 325 227 315 119 191 148 431 102 176 267 331 158 181 1398 280 170 209 289 244 19 273 290 1374 197 319 258 175 279 122 233 239 235 265 127 248 247 145 231 265 371 297 254 3244 295 2885 305 150 279 377 374 beta-alanine 1479 2802 2244 548 1537 675 1038 1280 506 918 1727 1080 1086 1339 986 2595 1650 740 336 1176 2400 649 1158 867 396 1719 1101 2539 1015 1364 761 966 494 1407 738 1306 1496 578 803 1963 1347 1283 2075 1165 1413 835 2043 2349 1094 1304 1019 948 1972 690 1718 2768 1718 1740 1565 2040 615 1870 1730 734 1357 1920 1144 1941 3177 2089 2606 2639 1137 1888 719 2669 2494 2333 826 1245 2028 1981 750 0 677 1475 2266 2592 2270 917 917 676 872 1939 968 991 1515 2251 1523 968 2167 1175 2087 3345 1744 729 1449 1348 1491 1918 972 2707 2011 1843 1301 2449 1530 1027 1127 1471 2131 1535 1256 1435 2414 1861 1020 2032 1411 2057 1100 1862 2928 1958 2929 3449 2971 1756 2072 1314 2324 1304 2192 1574 1406 1494 2021 2357 2326 2817 1043 1370 1443 1288 1786 2866 2574 1554 2714 4097 3127 2153 3327 1568 6090 2074 2329 2843 3327 2484 1623 1506 1234 1279 3377 3079 2812 2280 1281 971 1957 1368 1859 1511 1689 3944 1691 1481 1148 1781 1544 1627 3179 1704 2722 5117 1610 1002 1614 1660 2527 1476 972 2103 2231 1897 3220 3119 2795 2184 1887 1111 1032 2097 2570 1905 1481 2252 2622 2028 2189 1909 3648 3218 1886 1505 1897 1083 1658 1738 2326 1766 1536 1121 2138 1035 2270 1614 2075 896 1327 1111 1868 639 1755 1723 784 1364 1118 1799 1412 2773 1187 1637 1289 2760 1039 3576 1239 1898 2005 1207 914 1868 716 1168 1641 1454 1830 1762 1729 1386 2895 1392 1307 1371 2171 1162 2286 1422 685 1315 1106 772 2073 1615 2177 1751 1143 1525 3032 1412 1205 1528 1379 2232 2067 2581 1874 2679 1089 3255 1811 1075 4260 2163 1066 2067 1775 1763 2796 1708 1914 1653 1510 2540 1551 3862 895 803 2722 820 2946 1055 1096 1782 2508 2265 1526 1543 849 3058 1356 1268 1953 1269 2178 1462 1314 1691 1218 1894 2220 1228 883 1474 1173 1394 1352 1027 1486 1691 2114 1301 1163 1427 beta sitosterol 690 667 501 613 152 379 465 401 415 740 1201 532 558 458 135 617 397 279 587 360 856 457 804 776 384 449 452 719 476 373 448 161 499 322 265 240 343 646 676 384 241 304 284 433 217 598 792 646 124 204 800 374 402 209 243 1008 730 372 217 295 434 346 648 727 595 809 376 334 507 205 143 239 389 1092 744 387 225 706 214 445 424 384 12525 0 965 592 2429 459 385 512 635 430 444 792 584 934 659 2287 350 684 660 461 401 434 283 622 730 675 280 555 414 542 574 645 464 338 387 363 965 892 585 647 323 199 545 468 546 406 1119 879 417 316 543 177 646 1385 521 336 806 579 600 449 565 176 176 799 659 1086 274 322 284 327 531 649 662 327 708 689 327 566 784 823 498 255 353 461 398 962 582 659 220 503 273 701 503 321 476 177 291 702 871 688 736 291 237 421 216 274 855 294 239 540 317 396 258 205 175 704 504 377 193 670 270 675 482 663 405 1495 347 641 252 246 639 785 599 649 503 284 489 311 1103 343 1235 115 558 319 489 497 592 519 566 206 506 202 428 942 426 449 465 366 149 808 343 243 430 486 727 923 264 406 307 150 465 213 674 220 197 441 536 333 296 413 643 154 338 569 453 116 725 227 356 570 176 207 243 397 374 304 417 331 892 841 503 281 397 206 241 305 350 369 207 298 379 135 452 406 224 510 212 299 516 230 321 265 663 326 646 295 543 494 381 253 349 461 228 392 642 729 312 613 375 360 206 306 240 858 243 448 364 171 209 474 186 306 773 376 371 359 670 423 245 487 403 595 533 222 474 494 304 666 476 674 626 537 494 602 benzoic acid 6031 7917 7008 6351 9019 8852 6746 6931 5525 8121 13745 6695 8978 8015 6243 6878 6832 6336 8462 7073 11209 6716 9455 6275 7550 6676 9997 7218 5577 7993 7694 5849 7179 6318 6860 8142 6311 8529 7562 9056 7804 8889 7062 8571 6682 6080 10942 9905 7388 5518 7873 7655 8279 11927 7670 6621 8086 9978 9090 6976 6840 8094 7409 6115 7149 13240 6252 7019 10787 9750 7887 6925 6114 8178 5769 9697 8999 11227 9934 10688 9795 7592 27321 1616 5233 6488 6446 9653 8169 6095 7330 7081 5598 6116 6453 6800 6722 6854 6503 8657 12626 5477 8060 10282 10705 10843 8280 7269 5897 8747 6281 10000 9428 7780 6420 7827 6918 5107 9500 6867 7861 9312 5326 7478 10353 8927 7656 9714 6493 7849 5257 9558 7629 9339 7687 7807 8142 7621 8071 5835 7782 7691 8302 7663 8045 7111 8229 8780 8436 9800 6824 10781 6000 7195 10754 10023 6672 7686 9888 7384 10488 8802 6989 6185 4651 6713 6200 11465 10024 8577 8702 9459 6099 5661 6985 6475 9937 8011 7390 6552 10663 9045 7592 6081 6834 6717 10924 8623 9650 5585 7010 5792 6601 6559 6704 6920 12924 8486 6457 8418 6851 5863 5690 12498 9580 7249 8535 7994 7712 6655 6470 6065 8396 10523 9860 7670 7237 11043 9219 9124 6266 8325 12997 9225 11385 7670 6110 6356 8438 5627 7112 10983 9706 8121 13796 7499 10633 10808 7107 8125 7744 8738 7753 7433 7288 9568 8853 9509 7000 10733 7391 9368 10864 7572 10839 10388 7990 7556 16156 9819 10997 6481 8860 7221 8501 5774 6458 6816 10121 8699 8308 7844 5082 7127 8554 8401 8729 7945 8737 6986 5520 6817 7530 8082 7192 7852 7314 8270 6508 6194 6487 7879 8321 4006 7560 8583 7767 9189 6581 5929 8620 6206 7898 6722 8613 10313 7294 9006 7359 6067 6636 12145 6277 8184 7917 7190 7202 8326 10138 5799 7216 7974 7606 8339 7683 8486 10340 10061 6663 6136 8441 7730 5837 11956 6874 5841 7048 6522 7870 8557 7099 5846 7975 8128 7752 7693 6637 7015 9141 10856 8811 9514 11535 8701 9461 9386 azelaic acid 233 216 238 305 267 339 185 234 387 375 271 242 248 360 290 125 241 290 813 219 228 466 225 308 464 218 292 223 198 249 312 193 550 253 412 261 287 593 371 323 377 271 208 317 197 321 402 391 253 132 289 239 151 303 281 275 223 254 338 306 371 351 406 273 260 191 336 270 228 321 26 287 241 217 253 323 346 368 283 281 540 261 945 0 251 344 274 386 160 198 272 291 240 222 277 334 233 301 411 158 271 319 245 328 201 271 225 220 234 314 296 362 301 332 337 303 299 229 319 222 341 331 225 204 274 226 252 255 250 318 316 371 268 315 214 264 316 247 311 181 238 220 299 290 513 222 268 214 345 296 214 301 289 396 370 323 352 212 245 579 400 301 499 407 266 481 221 639 485 392 330 260 368 314 545 396 391 365 874 364 728 1763 486 216 395 253 307 354 397 129 405 458 390 418 252 262 364 290 574 711 416 266 345 289 265 387 302 439 680 851 489 269 342 49 497 305 550 477 353 430 651 258 426 463 326 210 465 915 504 519 252 367 463 376 280 603 575 566 516 279 329 352 186 283 305 417 401 289 266 311 218 355 354 283 349 292 215 230 232 187 297 231 247 178 207 217 217 291 312 375 266 222 209 219 274 288 315 234 301 189 242 443 278 255 339 360 253 178 181 305 300 459 228 227 181 229 270 240 242 325 326 243 289 189 287 369 339 359 272 238 318 524 277 219 164 294 340 295 321 261 285 264 287 152 263 229 398 325 256 253 794 479 238 304 218 207 305 277 377 353 214 218 374 288 240 201 195 233 320 403 278 442 128 533 396 395 aspartic acid 20132 15139 15084 22394 17894 18607 16057 15218 13673 12866 14174 14479 8755 13180 15569 18176 16969 19386 13677 18392 17011 17455 12525 14050 14433 14800 15168 10522 15168 14895 12167 17692 7221 14490 17872 17365 16422 14039 16951 12813 17247 12007 17112 17134 18351 12717 13519 9488 21614 24596 15725 17465 16665 13572 12939 16536 16295 22406 14879 24588 12332 11971 18180 10858 10842 15135 14663 18790 22099 16966 11182 12007 13731 22330 12481 12891 12804 15065 11743 19114 15308 10530 4717 8550 17068 18294 15819 9310 15269 13698 15280 14695 13386 17672 15749 13811 23293 17081 12833 19793 7676 14182 16821 17153 12673 13431 10595 15734 13583 10946 14020 13712 10000 9983 16509 9078 9370 13622 13486 12045 13414 13605 11629 13674 18278 16196 17285 10097 10760 13526 15429 20178 32066 17945 11778 18392 11050 21142 12796 19516 13350 16048 19742 27680 11554 10399 7352 10497 15394 12177 18151 19397 12445 15278 11336 16770 17884 11502 11497 9302 10243 16136 6882 9965 13428 18181 17063 11724 14824 11008 15345 15950 9875 11269 13950 20744 18299 9363 12365 19128 10524 7287 11325 20121 15204 11658 13133 10897 6728 15259 8660 16449 15238 14955 10471 8189 12564 8512 15201 8720 8627 5372 6750 9957 17998 14365 16327 11264 11247 12297 6081 7131 10027 10953 16408 12152 11336 4111 11070 7326 15339 12462 10017 10699 11456 16590 12141 6816 15725 15524 7768 9020 11124 18022 20361 9535 7741 8460 15439 13300 19539 11227 12597 20246 12340 11616 18334 16189 11535 17605 24090 13050 11694 13559 17456 13263 16077 14505 13334 14145 12702 20915 18488 9685 14871 18283 12224 13028 17252 18811 13705 14209 16242 12736 23309 17927 14208 12630 11628 11139 18667 15633 10161 18112 13975 17995 14348 13000 7343 12567 14487 15803 13314 17716 14219 12068 13550 13643 18924 28457 16433 17136 14067 9556 13661 15270 16912 15461 13722 16514 23871 14100 17948 17072 16851 16700 16457 14477 10970 12176 16292 17847 22753 12538 8713 14702 7990 8718 11142 11129 11069 13734 5289 12186 13573 12564 7152 9282 10232 10400 11121 4208 10533 9855 18074 7836 11708 4817 9888 8750 12447 13345 8966 6529 14714 9779 asparagine 6370 5810 6075 8426 5949 9418 5604 3769 5970 8997 7229 6407 6303 8701 2672 8222 4867 5209 7350 4599 7144 5879 7724 7943 8340 7180 10594 4410 5208 5313 6771 7347 5514 8107 6773 7299 5168 8951 8388 7332 6171 5111 7073 7297 7247 5174 6959 6587 5920 4870 7511 6019 6396 4583 4573 6521 7805 5992 6900 4690 6209 6102 8525 5160 6259 7698 3734 7827 7336 4289 6419 4087 5942 6404 6089 5000 4483 8088 7009 5580 6719 4508 1010 0 6942 5934 4837 4451 5204 7284 6536 6356 4252 7280 7892 6680 8125 4730 6270 6417 4063 4497 5137 6129 4164 7929 6650 7919 5229 5625 5009 3684 3044 5880 7179 8735 4098 4340 4757 6358 4276 6651 4278 4783 4430 4769 4577 4277 5557 5622 4275 4569 4610 7358 4856 5506 3989 4444 4666 4725 5052 6696 5706 5684 6027 6693 4341 6119 5196 5592 4320 4794 6084 6646 4238 3425 4237 6061 5322 3657 4140 6595 3890 3125 4616 4716 4513 4078 5272 4752 3776 4274 4397 5379 3375 7047 3495 5096 6474 7032 3393 3353 4003 5168 5292 3679 3347 5884 6381 7553 5364 5076 5349 4762 3392 3440 6089 7129 3541 5397 5556 3415 4150 7212 6108 5222 3174 5664 4169 4220 5000 4447 10479 7988 7091 5850 4375 5331 2841 4548 2485 7428 7001 6229 5379 5361 4485 3891 7041 2863 5383 6667 6141 6422 6660 6013 5820 5727 3962 5145 5969 8504 9403 7267 5754 4731 7357 5516 6408 6577 6657 4509 5203 6934 7355 6729 7239 7988 8620 10910 6875 5531 4170 8106 8086 4227 6111 4413 5957 7437 5343 6973 4517 7187 5611 6762 5995 5833 3816 6233 4040 4633 7450 7564 6669 6153 5175 4939 8811 5442 6432 6011 5909 3589 6150 8628 6709 7191 5769 4704 6579 6011 6312 8084 7733 4498 5085 6109 8772 6853 5850 6050 6450 7375 6841 6537 4623 8802 6159 4960 5661 7408 6321 5641 7441 8015 7283 7397 5274 3911 6369 5879 7306 5159 8741 4822 4004 4357 6579 8347 7586 3618 2758 5270 5922 7326 6663 4178 4977 5519 4696 4877 6584 5709 5986 5122 arachidonic acid 7092 4869 8046 6202 4358 4264 5903 9945 4907 3191 5230 5447 4848 11189 11545 4594 4961 5248 5467 6405 3749 7210 6932 8336 3124 5705 6712 4137 5776 7733 5615 3541 4066 5185 6491 4265 4397 3039 11106 4190 4094 6405 4457 6430 4817 4122 9829 4663 4454 4041 6676 6024 8950 3438 5621 6634 3417 6596 3878 12226 3843 11598 4070 6171 4294 6744 4531 9295 8922 6174 4956 13319 3810 9143 6299 7573 6231 5370 3112 6257 6395 4961 14195 7319 8815 8682 9880 7208 4735 4547 4996 3414 5757 6763 4576 5070 8138 6696 8104 5227 10385 4182 6790 8134 15660 4625 9335 7303 3160 8660 8487 8387 14109 9949 10557 6698 5337 8689 11562 10547 5634 10050 4159 4557 9931 8121 7942 6412 9444 15091 6883 6800 7621 7627 10151 8108 9588 7636 5709 9007 10668 7407 8337 5915 7332 5728 8598 5712 6405 9330 6472 5807 7962 6547 8706 9446 6579 6108 8205 5295 13017 8138 7029 5718 4566 8103 4451 5416 7384 9288 10285 6019 4838 3537 5351 7681 6650 7262 5771 5532 7032 10266 4605 6566 4163 7473 10303 7822 9324 7714 7139 3332 4928 5762 7466 8244 8685 5762 7994 9984 9187 4503 5699 4465 5609 5527 6648 6059 9213 5787 6620 7449 4030 4433 6557 6430 5203 7243 5696 3917 6269 8515 6778 7884 8609 7326 5065 11218 5227 5464 5895 6502 3937 5323 6267 8739 7816 6695 6142 11561 5732 3877 10395 5544 4705 5544 10940 3841 4784 5761 6496 6827 6031 6512 15783 4266 10343 5555 4201 12722 14294 5570 5442 8566 5440 6993 3866 7372 4311 6774 6182 11971 5856 7275 4872 7923 9898 8095 4532 6405 8369 7980 6258 6171 7041 4087 4269 4422 7018 7702 6710 9568 4599 9206 6542 5228 6030 8333 5177 4979 10864 5246 5199 4944 5081 12187 6980 4829 4363 6922 4668 4189 6627 7890 5563 8035 4728 7380 8018 7309 4266 11573 6257 7012 7801 4655 4463 6707 4235 6752 10648 4565 3391 4372 6310 5705 3682 6389 5314 9548 4579 4251 5083 6214 7857 4388 5838 4319 4435 13851 8417 8722 7760 3928 10260 12706 arachidic acid 2036 2498 2418 3207 2350 2793 2610 3208 3162 2121 3253 2221 2519 3580 2721 3062 2747 3240 2378 2556 2941 2888 3717 2991 2835 2253 3995 2652 2173 3095 3510 2063 3064 2386 3173 2995 1744 2208 3139 2998 2382 2893 2172 3423 2651 2191 4074 3578 2880 2124 3050 2750 3573 2631 1917 2452 2840 3423 1897 2601 2790 3315 3460 3751 2855 3844 2129 2825 3040 2772 2754 3050 1615 2909 2173 5288 3658 4157 2550 3018 3982 2621 10994 1492 3254 3701 3192 4550 2161 1912 2558 2787 2806 2711 3299 4224 3254 2752 2328 2921 5314 3094 3004 2808 2842 3710 2783 2594 2608 3710 4202 4497 3226 2967 3774 2926 2690 2713 4383 2645 3137 3820 2597 3275 3445 1387 2363 3666 3116 3403 3723 3506 3663 2523 2431 3637 3260 2650 2755 2586 2973 3848 3115 1975 3994 2215 3850 3384 3454 3473 2705 1965 2195 3234 3137 3345 4199 3043 3119 4246 4774 2623 2896 2816 1820 3566 2783 4794 3922 4089 4002 2176 2938 2843 3139 2777 3503 2553 3108 3521 10406 5328 5190 1782 2622 2401 2897 3449 4208 3457 2968 2801 2448 2844 2592 2223 3880 3046 2697 3267 3831 2477 2155 4294 2449 2758 2847 2754 3316 3362 3026 2163 3004 3410 2932 2795 3339 3360 2689 4441 3994 2845 3292 3629 3634 3520 3059 4781 3444 2820 2967 3487 6340 3650 2712 3919 3821 3295 3749 3683 3333 2783 3396 2786 2667 3905 3983 2765 2536 2218 2130 3156 5183 2739 3933 2997 2334 2799 3028 3198 3734 2882 2322 5233 3027 2790 2539 2940 2491 3879 3321 4506 2412 2607 2263 2465 2630 2874 2631 2976 2630 5616 4584 3350 2949 2894 1799 2537 3179 3552 4199 2445 3159 1939 2427 3576 3006 2982 3394 2958 4476 2224 2845 2406 2966 3091 2209 6061 3535 3388 2168 2318 2800 3548 2327 4979 3672 5595 3115 2422 2893 2762 2959 3818 2552 4530 3569 4374 2641 2386 3713 3124 2630 3180 3668 2115 3659 3130 2728 3529 7899 3262 3729 4035 3840 3208 2692 2433 2279 4945 7642 3984 3161 2782 3998 2907 arabitol 7934 10778 2799 10154 10076 9286 9597 8851 6827 8368 10709 10446 13424 9756 8418 11382 12697 9263 8698 13931 11524 11272 12359 12226 10406 9058 11081 11340 8977 7540 9228 9778 14353 11101 11499 10935 5948 10765 6421 8726 11021 8040 10959 11150 10948 12724 9671 16475 9917 6214 8090 8246 12746 17907 8142 9527 11999 9180 12233 8083 13695 9571 13635 16533 12164 12239 21413 19518 10288 8464 7275 7249 7734 7002 6211 7170 10995 14827 8513 9185 14800 9928 4152 3752 8774 8339 4127 9891 9087 8943 7378 7274 7817 10227 10933 8344 9378 9647 15221 8984 8152 13536 9648 11451 6461 13013 14614 11673 15832 7202 13462 11295 7072 16319 14682 13641 10418 13542 15299 5587 8837 9992 6111 9290 13425 24514 10621 9266 5124 6004 7341 8937 11655 8256 5566 2278 14867 14457 7340 8580 6147 15149 10415 12003 6954 7540 9693 16197 8555 6367 10370 8223 7149 11120 12740 9327 9537 6893 7293 70843 10484 8612 7232 9357 7986 9646 10187 77966 12834 9089 9639 10183 8097 8497 6383 12249 7366 9566 9996 10031 10747 12053 9727 12253 14750 8336 10544 10795 24150 8334 11603 17955 14795 13567 6122 10644 11239 13387 11439 7582 9758 9890 16553 9852 12150 10123 14507 12256 10290 10686 9328 16235 10496 10553 8622 9967 8540 10575 11208 12183 8570 6787 9621 12608 9344 10386 10489 9123 8989 4663 8862 10994 11752 8905 10623 8510 9766 8940 9952 9788 9221 10411 9020 9887 11207 16866 8450 13920 11307 9687 9388 10819 7189 12950 12116 9385 9790 13619 11827 10809 11830 12316 8273 9284 12279 11042 17263 9941 14248 10189 7784 9156 8943 10933 8234 12511 13942 11384 13291 8771 7797 12303 9312 10280 20174 10155 13391 11804 9194 20133 8715 10778 11585 8206 9083 8429 10932 12974 12005 16467 9142 8859 9888 12683 12576 9663 10498 12789 9284 10325 8318 12856 10799 10513 8751 10469 13870 13702 9392 10709 12341 12380 10628 9145 9062 10808 9890 13130 9537 5140 12357 12756 9011 11685 10742 8131 15748 8511 9844 12166 12583 15914 11067 7199 15178 11536 10294 9074 11095 10445 15069 6917 17454 11781 6952 9600 aminomalonate 8386 9917 7407 5704 7949 7017 15247 4680 4823 6186 8489 14242 12291 7265 4260 20436 14264 5762 3483 7809 7264 5930 14138 5349 4126 17074 9842 10178 6069 9029 12946 9780 2605 8085 5868 10901 6439 4997 5029 10999 13684 10575 15930 15008 11444 7465 16156 11510 7932 7287 7422 9423 10792 7265 13648 12642 18478 7669 8668 8599 9532 8529 13762 7332 11373 13687 5970 10875 12608 6829 7430 10330 8915 11190 8997 8177 11322 11915 8630 8120 11010 7447 4162 5962 8211 9593 4564 7193 11364 15130 19265 8519 6269 11491 19061 16390 7713 5869 16091 13438 12670 14537 9779 9731 6566 19219 7457 10008 8018 12878 7224 8555 6886 10479 19462 8551 15208 7096 18107 7977 12458 20388 10327 12898 5229 14885 11855 12375 6420 12464 12362 11673 8705 18135 11881 9641 6235 11660 7755 8895 11331 24261 7525 27086 17814 14292 13580 10615 15240 12442 16489 6744 11318 20815 12043 16404 11110 13829 13731 11012 8745 9024 5442 12116 5409 9726 10927 14952 16448 10607 7899 4193 9526 10232 5495 6679 15035 13248 13552 14735 10375 9407 10684 9821 7824 5698 7382 10525 26554 12587 9679 14687 10941 6347 4737 6723 13543 31982 13602 11772 7665 7741 6029 8863 9341 9280 10663 7409 6269 12193 9999 6730 16470 12556 10426 8566 16150 9483 8397 19843 5268 7355 9075 9799 5870 10410 11516 7407 19658 4470 7059 12141 23580 10576 10632 19582 8177 6250 12033 11463 11880 15688 8548 12910 7885 9980 20955 17956 12120 8320 8911 9236 8268 9185 10141 7618 13375 7291 16451 9145 9961 9893 11162 13432 11400 7905 11969 6385 20443 10930 8837 9972 8621 7964 9693 7440 10474 9343 7416 13288 10425 7683 18267 8376 21317 13537 6399 8347 16508 17218 10295 10305 14440 10754 7814 16926 18168 12173 8236 8530 14159 11478 9965 15162 14632 12111 8504 12940 16882 17211 9907 10346 12088 14565 9292 12169 9629 13422 12121 7092 13697 10269 8650 9810 15640 13469 9854 11323 10406 6876 5954 9457 12008 10683 14541 9326 9511 6740 12133 10618 15954 8755 5580 8498 7180 19786 10263 5578 6400 5293 13100 7442 7079 7431 13528 7363 alpha-tocopherol 23048 56849 18068 26945 30172 18080 16617 19516 19520 21085 50476 22664 40944 21632 21911 18698 13697 13556 20847 21402 42208 20137 40980 20426 17128 17155 27512 21121 15830 21413 21403 17064 15892 15162 19277 24425 17055 27768 19425 22619 23313 20834 14062 21128 18534 34583 35082 25965 18308 12755 23260 13358 23806 17897 32500 27897 22172 23192 19602 13187 22329 20545 22211 28975 19088 29909 17507 20235 25221 22195 18350 19369 24269 20410 21961 16808 22653 23407 16241 25305 22018 22245 33578 17891 42103 17437 15881 17164 19730 21177 27075 22633 35810 22885 21036 15942 31164 10629 21819 26883 24124 34774 16470 20980 33328 30671 24833 27822 32159 21004 22274 17503 46002 26218 29367 16160 36050 27512 32071 29063 28458 42825 7154 24383 17265 19764 24011 32018 29619 30193 11111 23461 17865 14825 23020 24276 23730 19222 20365 28594 23029 20644 16955 18803 12420 37900 14498 25690 29250 17153 17454 21022 21695 20002 21892 12262 28353 38892 11292 21335 31100 55072 13715 17299 10672 14681 16368 18581 26370 25106 11945 24229 21122 19591 12884 11541 22738 15374 24879 28456 14898 20889 9085 9431 18419 18990 13373 19388 18949 13011 16765 12855 8828 19411 17125 13349 20041 24765 18365 12946 13879 18345 21006 18925 13918 20135 9336 22910 16974 28076 15412 18868 15849 16944 17557 18329 14689 32179 9412 24511 20889 14226 25048 19286 19075 24955 20033 12690 20008 18708 14781 33264 25178 21683 19705 23238 18679 16386 21785 14301 18917 17438 15935 17223 15998 23080 25140 20415 19716 14314 17592 15664 37672 13793 25796 17907 14639 10119 16149 15662 22611 25087 17905 18358 21407 15510 18603 20337 21779 14186 34060 21005 12715 16263 18846 12670 19406 20055 15555 20652 20823 23613 25628 21172 14434 12926 10672 13954 27328 12741 14403 17260 17973 19467 18405 19052 27546 21028 14863 15419 27439 16550 10072 15720 21457 29573 17644 20582 17314 24671 16470 13100 26120 17855 18193 20885 18562 18090 15399 19426 21617 25037 14089 15473 17067 12520 24277 16466 10825 10111 16576 16083 10901 10692 11313 15638 12968 9595 16595 19206 18458 17311 10138 18348 15541 17987 17871 19401 9128 19844 16333 18665 15160 16593 19555 22435 alpha-ketoglutarate 2440 1079 1309 1966 1644 1482 1811 3144 1887 1330 978 664 1409 2232 3755 1494 2563 2331 647 1709 432 1598 1729 2918 1003 1398 2224 1371 1995 1742 1630 1543 1232 2310 1801 1374 1784 508 2104 965 1193 1407 1386 1645 1388 1051 1694 1038 1604 1304 1360 1969 2164 1510 1450 1052 1349 1135 1927 2726 2338 1130 1500 1666 1977 1049 1140 3255 1046 2188 1747 2557 1699 2086 1025 1851 1965 1745 1201 1652 2884 2776 540 0 1052 1395 2023 1558 1030 1065 934 514 769 637 325 1232 851 3280 945 684 886 1709 1536 1237 1062 1524 2018 894 2452 639 1341 852 572 1939 1699 1548 1242 1134 558 891 802 569 1574 1831 3014 1405 356 410 896 773 1898 1558 2032 1687 1086 1347 1923 821 2161 1852 593 1665 1796 1809 2054 687 679 761 1760 976 1304 1538 2105 1391 1100 1008 1306 2008 1337 1202 857 1699 1438 1820 1594 1116 1756 3904 535 1033 2485 2221 1297 809 1239 1280 1237 1375 1602 888 790 1493 703 1533 2094 2186 2209 1611 2049 475 1155 980 931 2393 1979 2959 1085 1666 1588 859 1094 1133 2031 1287 1289 1287 3212 606 1959 1058 1242 2420 3721 1070 1301 1555 943 451 2367 850 1917 1333 1175 1803 1801 1560 504 2595 1294 1023 1805 1677 1275 1169 1540 859 746 997 760 1952 1164 750 1771 1401 1318 838 1454 976 1950 1264 2184 2343 1462 909 1476 1679 1536 6522 883 1813 1121 1340 2250 1228 1113 1819 1183 1868 1100 1684 1895 1514 1960 753 1534 4470 1285 2112 1349 1874 2718 1996 1857 1287 2671 1642 893 1785 1421 2322 1421 2530 1659 1901 1651 1069 1408 1389 1810 2910 1488 1003 2077 1053 1950 2784 1568 1160 1175 1368 1821 1314 2323 1061 1837 1611 1859 1907 1900 1719 1539 1737 1327 1549 1392 1774 891 1702 1174 1331 2348 2272 1263 1286 1692 1719 1362 874 1440 854 1348 1675 3305 1626 3184 917 1305 1859 3765 990 1304 1934 2402 1911 1641 1059 allantoic acid 125 164 138 156 125 167 143 139 123 118 111 64 158 134 116 164 158 152 73 103 115 135 174 135 156 66 136 119 87 144 152 132 152 263 136 96 90 95 197 138 141 95 119 144 130 890 99 102 100 82 73 121 104 225 134 113 124 94 98 63 840 106 130 120 129 101 295 198 112 108 189 144 63 83 74 115 109 232 137 105 240 107 200 0 85 67 128 49 88 141 69 69 102 165 128 118 137 128 99 117 109 204 133 142 103 69 184 118 330 104 69 233 109 90 84 158 67 84 135 148 94 111 83 102 166 231 148 89 86 67 86 122 125 78 105 173 71 103 94 64 66 107 133 253 97 65 142 236 102 133 73 147 72 170 112 210 189 149 161 533 97 114 397 173 537 464 151 769 116 159 96 400 420 439 490 173 146 113 225 121 249 332 288 652 135 122 169 240 210 224 572 217 818 169 91 129 217 165 606 436 527 198 171 218 132 138 151 463 398 772 236 210 220 192 333 240 456 353 477 639 383 140 186 173 221 106 517 421 137 241 98 138 352 150 98 306 513 616 309 69 192 166 165 87 110 82 84 93 78 99 84 118 113 104 76 121 54 111 156 88 118 128 89 117 134 130 83 139 96 268 97 95 51 159 78 65 89 151 232 64 38 133 91 123 272 96 264 107 75 207 101 84 149 110 148 65 152 115 143 501 75 148 129 158 136 137 157 91 171 60 262 148 135 95 101 110 176 118 183 102 166 89 137 121 136 112 191 113 150 73 122 147 163 174 112 65 180 89 151 139 154 305 126 133 143 143 75 158 89 149 166 395 215 211 160 94 alanine 1460736 871388 1350258 1255069 1041030 1037094 1317998 1167795 1177049 893788 745210 1526486 1181279 809357 1288915 1370841 1142472 1570144 1088688 1146167 890736 1109473 1372320 1024515 1294097 1265358 885891 1030577 1313288 1222437 860362 1279635 1193947 1174658 1049961 1146833 1263441 1028260 1100405 1131731 1245549 914072 970056 1223269 1496200 912736 519116 1257441 1023869 1619009 1041889 1361229 1088562 881580 993079 892667 1575156 1147507 1956288 1183218 1124963 875168 1304141 924309 970691 923489 691511 874595 1283923 872387 934999 844755 1925324 1473993 1162685 1286109 1108157 957775 1006080 1504908 874083 996354 390120 1171817 1113236 1361737 1214974 1183229 1237824 1553855 821966 982901 1399355 1133302 890184 1006195 1360321 1131625 943533 1054848 813004 885110 1470789 1481749 571057 678863 1368921 998612 882034 915191 1431095 801802 672175 959803 1266610 814601 1020859 1293170 870520 863817 1027232 1062975 1645717 1194592 1074393 594913 951041 762549 548456 856417 1796926 1006618 1344158 994413 787910 987149 1006054 729939 1304068 1129816 1094272 1091518 964418 1121204 668200 1196974 790131 838359 684743 1181789 1711353 987921 1275794 1306736 724694 918110 917551 1240710 1098867 776969 611370 1250309 922252 1158320 1198065 781231 1610994 1107226 848952 1101285 978925 1231037 1088968 1392429 1176773 1423976 1060446 826696 1047106 1222972 1081144 486325 1877170 1127753 840031 1398888 1022457 649607 737294 1106964 683067 2050149 1258586 1331857 1066014 751686 740083 768780 1492969 530677 616490 790096 753407 476266 933438 1205744 1172889 1088874 858728 1114705 636920 671998 767126 860081 524338 1053173 921819 641970 1092308 672667 1107785 822564 531095 698580 581321 905767 1016723 735961 655552 959614 774677 774725 643349 1171683 1116474 543965 540740 623387 1033120 908395 1223273 773000 593331 1171690 809669 516456 746542 1054159 846936 1477440 1581570 842939 735402 1062853 1265046 1006343 845018 973389 776333 647562 684596 1321492 1134821 700697 822855 806817 1004720 481524 1179380 1224539 990938 1200216 1458986 932861 1298357 1036480 1114380 769630 770865 897578 1039786 514575 899624 744576 561907 1055772 1063916 1200902 907738 862031 1246652 162529 753437 1100435 1110307 1132475 729468 803648 1426364 1060252 599169 964187 1216261 702648 448301 648178 1036444 1054432 1271709 1183372 937622 1090375 892986 703607 1272819 731253 929406 607494 613616 557860 884879 665778 1035371 823155 709148 1166230 623864 854302 1075063 1186176 858210 1001170 699930 927458 1184960 1647374 1221919 960403 1624406 587618 691059 492221 736714 1156299 986920 679871 1490740 781321 684434 667323 745554 784047 789706 897372 787247 504684 adipic acid 1250 1586 1262 2359 1493 2745 786 3161 2537 2644 2069 1173 1590 2208 2183 1303 1447 1920 4991 1430 1458 4205 1752 1900 3389 1382 1638 1475 1346 1477 1681 3504 4962 1053 3616 1562 1245 3390 2213 2084 1336 1923 1122 1944 2902 1953 2519 1930 1474 835 2054 1366 1453 2117 1204 2018 1615 1524 1796 1484 2328 2291 1571 1750 1498 2005 1367 1456 1232 1867 464 1197 1051 2549 1103 2388 1529 1998 2508 1681 2058 1038 5172 0 1264 1587 2238 2776 1368 1326 1027 1798 1133 1399 1329 1480 1471 1830 2143 1114 1929 1272 1276 1487 1189 1025 1698 1465 1971 1247 1539 1659 1205 1898 1539 1582 1244 1268 1393 810 1564 1753 1541 1296 1820 1059 1137 1393 903 1184 1133 3858 1086 1313 1010 1376 2069 1072 1532 987 953 1088 1222 1285 1498 1319 1096 1121 1735 1369 1026 1562 1029 1401 1658 1995 1278 1286 1249 5154 3358 1402 1033 1139 966 1318 1024 4893 2455 2280 2338 1028 1048 1168 2801 1217 2867 1662 2159 1199 3805 2751 2520 1611 1060 1214 1917 1233 2147 1286 945 1560 1063 1396 1406 1367 2110 1554 1519 1304 1145 1348 1660 2161 1397 2569 1630 1467 1861 1450 1604 1112 1369 1463 1707 1836 1921 1710 1627 1624 1364 1514 1684 1933 2031 1062 1199 2135 1212 1006 1232 1813 2506 1090 1890 1424 1366 2169 1513 1722 1137 1365 1003 1334 1227 3329 1295 1322 1404 1421 1092 1537 2583 1663 1961 1914 1215 1204 1798 1414 1538 1097 1309 1310 1276 784 955 1379 1790 1501 1323 1413 1112 1367 1412 1634 1549 1146 1560 1047 920 1864 1286 1241 1810 1006 1879 1153 985 1873 1530 2959 1012 868 996 1223 1053 1644 1299 3062 1605 1174 1953 893 1723 1528 2004 2273 1462 942 2245 1875 1516 1104 1320 1763 1761 2791 1927 4610 2115 2317 1529 1158 1037 1453 2397 1890 1525 925 2805 1856 1053 1687 1043 990 1532 1524 2025 1448 2176 1025 2110 1596 2184 1731 1092 1508 1510 1995 1351 1762 1897 2141 1453 1767 aconitic acid 434 393 338 551 494 501 611 466 451 365 475 515 423 565 496 480 284 283 426 465 546 546 531 673 389 497 579 381 328 299 390 350 363 446 497 593 268 312 534 370 410 260 338 334 367 392 324 104 451 398 439 345 378 477 354 374 439 372 317 498 680 341 91 342 382 395 560 513 523 421 446 396 150 618 423 435 479 469 426 407 488 309 310 0 417 438 545 382 442 326 307 385 266 286 301 368 397 461 488 280 533 401 476 356 369 359 528 525 488 292 509 381 209 372 302 660 291 549 368 108 246 310 328 346 605 964 270 367 310 324 438 388 399 327 317 258 467 1388 257 352 332 428 358 486 306 328 358 454 307 335 366 421 287 491 480 177 283 336 572 2003 522 191 482 309 566 443 387 1472 404 270 281 326 455 301 336 445 356 221 541 404 252 612 466 401 285 274 674 689 554 353 496 289 597 300 367 557 593 449 312 368 532 287 733 430 354 369 458 385 405 417 397 660 693 382 340 453 424 429 353 434 297 411 500 395 417 389 359 515 210 247 469 430 578 404 224 345 434 406 284 441 368 279 400 542 216 773 568 367 257 337 444 465 325 308 515 341 454 319 379 421 497 319 434 445 387 616 392 510 358 543 339 436 401 261 375 442 319 266 207 499 625 558 163 620 612 320 382 542 207 524 417 372 390 436 435 328 391 512 264 240 325 436 274 389 450 553 368 519 193 508 292 358 357 312 332 588 502 513 580 441 392 506 497 513 313 246 563 352 529 263 283 413 318 293 535 346 496 254 525 409 337 786 343 361 453 333 300 554 222 244 320 518 298 556 429 257 6-deoxyglucose 6277 5958 5236 6522 8004 10632 6871 4443 5188 9377 4359 6549 13625 5680 4387 7248 5567 5881 6562 4891 5049 4711 15593 7743 6501 4945 6349 5307 5829 5085 10224 4960 6065 5646 6472 4833 3530 5515 6987 7638 5601 4804 5406 10909 6915 5371 5241 9328 3854 3343 1840 3194 7439 6144 5084 12109 6361 6534 5811 5595 5812 4282 8839 2585 3684 5983 5883 6035 14623 6738 7086 4141 4866 6650 9243 5831 7575 6296 11324 4336 5787 6518 1501 1357 4422 11569 7646 6396 7596 4168 6314 11830 3723 5079 4620 3205 4998 8649 5107 6569 13104 4749 4880 5412 3828 5278 6307 5795 7814 12928 6445 5556 4071 7229 3626 10054 8252 6391 4901 3499 5860 3353 4401 8371 6504 9082 4139 6951 3233 7844 4641 4143 3998 6799 4705 8870 6155 8050 3880 4518 8190 7416 4487 6229 6522 5401 4819 9767 4605 5138 4389 4421 3774 7270 5712 8493 5324 5379 5352 10430 4919 6467 5345 4834 4342 5271 5017 12361 5433 4314 6179 6648 5347 7146 4913 5928 4847 8235 5882 7311 5516 6470 3817 5095 6958 3528 4749 5436 5375 5772 5962 7557 6425 6163 3311 4840 6232 5143 6946 5425 6972 8667 4024 6175 4107 5344 8889 5632 4386 7779 9340 4111 9802 7693 4765 6916 5129 4986 10611 9514 4860 5170 5224 4197 6218 6742 9750 7077 5058 5163 4309 4196 8623 2758 6728 10237 7462 6542 10520 4859 6047 13008 5473 10327 4146 6589 9082 4815 3057 5735 4546 8891 3352 4697 5472 7225 5522 9762 13611 5736 7432 6405 5191 5409 12062 15402 7310 4852 4597 7344 2997 3678 8718 5246 7211 12449 7747 6419 8838 6155 5127 18220 4121 5548 4523 6025 6483 4336 3519 3885 5610 18609 6428 4120 4395 4564 5249 4133 4903 6138 5112 5433 17076 8823 7094 5867 3796 12324 4699 5991 7111 3854 6956 5259 4774 7307 9712 7005 8289 3366 11508 6551 9392 6532 4658 8261 8623 8125 9346 3480 6438 9040 3514 6958 8547 4376 3773 4027 4910 5595 7215 4842 10573 3454 3360 8771 4735 5557 11095 5347 6742 3930 3426 6422 7824 5067 4-hydroxyphenylacetic acid 379 412 391 511 617 331 446 704 420 484 458 630 411 333 1044 523 325 638 508 338 740 634 459 418 442 449 363 546 399 346 311 462 729 354 584 459 392 292 520 406 324 381 635 370 653 605 426 585 514 329 406 472 350 2142 326 469 433 569 508 275 625 451 873 412 612 1228 1071 585 683 661 424 225 393 453 443 351 450 1821 516 441 669 358 475 0 351 355 392 396 409 344 361 355 534 581 530 412 408 456 399 452 429 694 412 497 372 412 634 393 560 173 396 492 357 561 403 512 423 625 634 414 452 444 569 141 752 1222 546 483 363 422 410 638 543 422 483 837 707 407 386 385 410 438 890 358 310 558 907 653 344 489 234 383 283 537 585 597 674 469 533 4669 518 447 403 268 610 742 1072 4842 441 544 291 347 444 125 438 460 546 573 457 430 927 629 620 695 748 331 390 586 433 477 562 427 853 836 326 573 585 515 445 788 552 423 734 1263 322 528 596 508 408 354 443 1602 436 731 340 484 680 594 674 852 504 419 556 486 397 326 416 733 533 430 645 584 937 383 384 614 452 608 404 371 410 443 686 623 606 1098 623 486 391 324 591 683 444 586 1175 220 435 302 508 447 485 395 540 395 537 431 517 577 432 538 331 539 507 274 403 249 522 332 769 415 424 692 519 821 657 579 834 436 402 637 425 754 442 314 373 608 706 524 359 663 419 430 775 574 527 461 330 432 508 627 509 460 605 583 446 644 1093 616 545 651 649 424 497 956 738 388 799 846 347 1249 824 612 705 658 386 316 537 556 504 744 546 762 780 416 460 626 490 395 587 549 604 608 530 474 432 135 4-hydroxybenzoate 380 387 315 316 349 247 423 429 323 260 949 407 529 435 370 459 308 363 212 358 698 417 488 315 334 418 673 359 316 449 718 273 211 454 303 433 305 253 278 392 344 420 368 445 434 291 386 475 411 313 460 289 402 406 362 539 355 377 328 255 289 398 370 357 396 769 513 350 627 329 302 421 249 361 391 352 383 435 400 441 384 423 1626 0 507 444 528 333 433 312 361 406 352 452 504 405 533 454 507 784 550 304 455 542 421 875 398 454 334 510 479 428 420 417 456 416 477 415 1190 511 385 506 396 391 539 494 417 437 386 367 354 494 455 419 430 393 351 351 365 381 381 483 616 425 393 372 420 493 418 580 337 656 295 460 414 564 361 373 425 1036 820 412 405 309 372 379 464 854 461 481 319 366 368 356 448 358 464 365 593 341 466 584 580 515 386 322 540 429 418 461 481 578 548 391 321 321 649 371 481 666 474 292 570 550 370 478 288 427 426 420 398 505 517 411 453 446 315 412 312 448 517 441 462 341 452 788 458 396 430 366 454 334 384 408 447 468 384 380 459 442 449 541 402 390 601 301 444 476 357 332 435 370 365 395 1652 679 508 362 435 373 501 439 264 498 434 357 405 511 483 5525 382 357 258 401 403 462 475 371 406 458 336 384 417 503 331 334 345 358 331 341 365 266 443 295 307 387 466 467 356 288 516 275 392 402 264 449 317 454 486 681 252 380 301 537 285 358 326 250 456 330 324 367 361 432 337 474 391 369 424 355 543 356 315 399 417 370 435 401 406 400 350 322 380 506 350 321 324 338 587 525 634 482 408 377 454 405 3-hydroxybutyric acid 26555 19170 27625 19460 13444 18672 45565 42826 25618 29999 122612 12655 4861 359394 150208 51659 20717 13833 7289 42308 42671 118461 22601 196631 16419 47220 183591 19150 20262 38998 56589 34954 11900 46730 31336 37987 17542 16381 118788 14823 4967 27489 16335 43067 14382 46604 31492 19538 88655 15717 45254 25818 246617 12142 51453 18657 12409 11139 27732 155788 39146 237224 21527 13564 22249 23352 22351 112157 11604 58327 42481 346087 16818 41039 75347 54673 40854 17758 13467 68471 52907 24257 28991 34275 132739 48324 175585 30678 30750 11797 17107 17607 32493 23111 18254 19033 89300 32164 164657 17650 261244 99037 21455 11352 101645 53003 21444 60019 43314 59558 24259 34498 37401 23564 36624 61864 28240 35813 25424 32809 17522 75361 27682 19839 93731 22249 11026 58674 65820 29817 60220 33590 11680 27623 116148 12391 49841 64307 34201 39581 40144 45191 19735 40007 35327 17412 67384 20162 21256 14973 36420 104074 27812 20645 46709 120491 6926 38083 96036 18522 277507 14778 102339 31198 14637 68881 16372 16124 55459 93362 21105 18128 39495 14003 17700 35235 90898 22024 55950 53150 36181 376075 35915 10605 18613 32673 38548 210899 138506 35929 46610 4530 10482 19799 63546 31794 61615 42667 16321 106057 94155 32755 95208 47024 24307 41192 25167 35038 185844 14514 94641 53275 19432 14466 31387 128518 33271 32063 24885 14843 37146 42164 45810 21033 68680 45775 24834 610504 32223 66944 62943 32527 32765 138258 17028 161632 74714 46490 43013 15948 12225 25104 114408 59104 25794 156285 213021 17641 12605 23253 38873 63208 90529 20871 181185 16807 57108 27868 40156 30220 83436 13659 17187 61810 27552 370056 10103 41829 11729 40214 34347 47026 42067 14032 11202 60618 25278 28057 20961 52391 60219 212914 76520 22851 110443 39865 26430 10696 160241 123942 43598 41342 45191 137570 28472 20170 18387 67911 12432 19308 59025 33234 25148 19310 52777 156944 105393 39790 27422 23483 15073 25639 22978 15585 26240 210507 102301 134676 242635 200034 23177 122035 49705 14983 17003 52218 15561 87694 47371 88380 259554 29857 16737 17435 72763 31343 35456 20752 16976 113531 22533 44445 19894 30542 114357 14697 13132 73948 15942 36389 15841 168117 14705 40935 62407 208017 3-deoxytetronic acid 5991 5144 4994 7425 5505 6704 9122 6513 6614 4462 8976 8007 7361 7978 11336 13881 5358 4507 5003 7884 11009 10457 8097 8101 4418 13068 6156 6130 5278 6202 5682 5550 6585 4829 6264 7001 3983 4306 8916 5173 2975 5564 6044 8937 6434 3474 20070 5956 5745 3418 10981 5938 12902 8007 4220 4119 5011 4603 5494 567 4164 17258 6096 10757 8590 4762 8935 8606 4378 6326 7003 11378 5723 6354 6322 9385 14307 7389 4270 3760 7848 4758 5327 1923 6245 7713 17405 7169 7879 2041 3908 4637 4433 4180 5865 4166 6753 6928 4268 6577 9829 6097 6428 11441 8566 6116 8719 5932 7161 5410 6126 9066 5277 12333 6459 7116 4808 6058 6264 5146 6059 6615 2608 4868 5033 8030 5518 7891 4805 4317 4946 5351 4553 2526 9547 6900 6893 7068 6634 3115 3980 4406 8109 5371 3120 7707 7640 8923 4562 10675 2795 7361 7263 4575 4589 10029 12796 8942 8463 10884 9029 3217 7734 5721 6522 7870 8251 14157 7078 5376 5857 6564 6453 5285 3651 9088 8696 7564 6717 5131 2295 13448 3168 5510 3342 10205 8746 7671 17464 4007 8160 4778 6060 3929 9893 8462 5240 12365 4325 9238 14264 9974 9097 9999 5547 10028 7132 6971 8893 4716 12216 9092 3674 4785 8136 16605 2871 7997 8300 7304 8107 3795 9531 9047 6190 7222 6667 7161 3369 6787 6152 10994 13894 7887 4148 5183 5285 5203 8109 3005 5557 6735 11033 6771 6472 13382 6491 5037 5504 4467 6910 6829 6089 9948 8824 3701 1392 5411 7806 9197 13017 4976 4803 9565 6349 4353 7041 6109 6156 2516 5820 7683 7887 5927 4158 6037 12063 8457 7949 7093 4044 6852 5338 4610 11526 5352 9370 4824 6614 10690 11530 7694 4455 6612 6265 6551 4172 10936 7297 2409 7754 5858 6122 7360 12423 12665 6257 5831 3952 3731 5047 9854 8552 4442 7918 10143 5025 23476 8107 11888 9071 5007 7715 6687 7436 8557 6730 8568 2783 5595 7206 4927 1953 7914 16773 2226 9550 4331 2519 6597 6957 11107 5649 5964 10046 11419 5897 8698 4183 4353 2291 12110 6755 8930 3133 6232 3-aminoisobutyric acid 83 66 181 53 40 49 39 75 55 69 240 112 59 183 24 33 101 57 71 209 396 47 146 135 35 201 244 217 107 94 75 5 46 462 56 117 81 30 165 147 131 224 124 155 197 94 93 183 125 53 41 52 298 73 261 310 194 111 147 157 145 341 146 53 156 210 326 197 653 257 141 140 82 213 35 174 251 311 120 76 173 268 180 0 20 48 143 576 401 1989 54 178 104 174 66 71 99 70 148 112 371 85 223 320 52 122 118 109 195 230 66 640 138 222 38 242 98 178 198 149 181 351 52 157 417 145 519 734 245 103 179 104 114 416 145 624 1708 826 45 22 146 185 96 113 497 171 177 571 282 350 61 63 166 198 33 448 281 164 215 447 612 45 894 353 71 74 495 400 436 633 126 221 68 130 374 74 677 155 157 158 394 611 304 63 226 327 203 191 100 46 95 568 90 474 118 663 259 60 74 122 218 125 111 171 110 178 214 94 428 109 455 299 94 171 334 222 66 48 507 209 102 80 434 286 377 86 62 126 2620 261 143 301 225 116 103 150 269 408 265 35 109 47 87 45 154 203 116 160 68 108 105 114 81 99 207 51 24 57 210 241 280 83 172 251 177 146 445 111 178 359 230 188 86 120 174 44 302 64 94 198 206 130 70 163 134 304 381 93 208 213 283 153 294 162 283 248 217 145 50 30 90 307 162 1932 153 174 34 168 304 457 54 535 172 187 197 168 205 332 168 201 288 78 290 67 19 113 410 82 636 42 106 475 1531 84 250 193 204 126 283 116 59 252 78 83 27 151 98 59 368 52 1666 182 74 355 55 157 3,6-anhydro-D-galactose 422 386 496 363 432 487 460 348 424 604 398 293 364 374 243 546 478 561 496 484 494 428 459 393 422 449 567 598 548 644 428 369 458 345 451 756 368 690 544 464 512 479 345 300 487 278 947 375 350 631 592 451 524 596 333 556 344 636 464 486 488 488 599 308 407 650 937 371 432 364 409 450 276 622 814 584 311 561 522 484 406 291 340 0 367 541 413 413 436 340 321 313 208 518 537 432 362 539 397 264 334 216 445 707 956 583 646 517 242 352 435 420 562 626 484 484 306 402 374 436 245 302 477 440 525 805 355 370 307 464 422 729 550 559 592 302 412 410 285 407 452 418 477 397 443 315 284 342 351 489 405 670 423 473 240 428 332 328 917 576 472 413 162 161 87 196 765 717 802 1243 510 159 157 133 167 580 541 580 1161 902 249 212 133 126 391 1057 719 508 954 260 133 468 155 466 855 369 459 886 178 203 123 194 577 863 622 666 502 190 116 180 231 654 576 641 574 792 188 222 212 197 164 659 596 868 648 614 155 110 860 190 1076 665 643 576 654 120 171 175 176 451 562 959 1027 430 986 594 587 671 475 584 578 523 671 544 806 578 699 494 711 645 430 631 516 514 572 430 931 547 490 564 540 469 755 647 439 430 507 486 644 884 535 812 840 1142 848 652 407 426 880 725 592 589 1414 760 563 432 603 96 145 490 1162 428 350 559 129 976 558 788 518 452 457 387 715 536 510 719 847 859 566 921 459 638 464 859 923 960 498 459 495 494 390 337 499 520 835 304 419 422 530 939 407 483 455 668 390 708 470 362 401 424 454 401 367 454 431 504 3-(4-hydroxyphenyl)propionic acid 396 617 378 598 378 404 345 486 397 554 487 387 477 361 543 571 397 633 659 386 419 516 468 463 344 599 528 524 891 371 355 329 443 372 566 517 502 617 499 492 334 404 303 313 275 399 808 490 339 373 672 439 326 334 479 505 654 356 340 243 451 403 370 1333 425 613 345 829 501 218 361 377 436 398 467 472 472 457 525 509 847 507 330 0 608 349 551 452 332 619 719 608 636 433 454 326 428 403 630 518 397 517 240 292 281 563 535 471 373 352 347 313 419 530 521 394 446 499 551 423 382 751 295 437 294 465 430 424 587 486 393 431 205 441 418 511 412 473 386 292 331 534 455 414 376 622 832 582 436 337 423 244 351 383 412 319 335 708 394 377 426 512 584 432 328 301 653 561 653 407 375 268 389 309 332 449 533 374 718 418 904 483 398 328 505 380 458 209 143 402 388 345 314 654 320 400 248 500 337 443 174 586 305 570 361 403 329 596 266 659 523 372 697 501 375 332 293 556 603 535 348 421 556 318 546 342 386 425 394 302 192 449 402 420 580 477 702 513 561 172 193 340 387 456 623 455 445 359 325 451 282 388 557 228 389 422 261 409 194 306 660 595 227 330 378 104 345 376 301 303 590 405 458 437 596 570 474 335 229 333 437 567 391 493 614 335 151 240 274 394 311 334 447 362 356 518 356 495 92 356 268 384 286 349 615 580 337 309 424 316 313 348 565 253 282 368 403 462 311 450 113 528 277 376 497 693 384 391 275 222 498 356 391 321 634 316 226 310 336 386 397 278 197 327 581 472 358 240 378 484 339 292 688 257 325 418 3-(3-hydroxyphenyl)-3-hydroxypropionic acid 54 176 163 169 319 156 1037 96 191 281 150 166 169 98 139 136 613 211 165 174 285 145 191 299 352 162 118 527 312 123 166 102 249 351 205 143 752 1179 178 184 159 138 253 177 237 155 111 817 129 371 89 161 186 410 128 660 549 159 149 143 159 235 952 1007 184 359 360 457 565 87 468 173 182 159 120 234 95 431 265 141 548 571 220 0 155 147 148 352 128 274 2410 88 90 292 168 559 264 198 220 144 157 99 35 172 35 325 241 294 138 73 233 1104 30 531 207 384 159 582 346 234 158 255 180 120 138 3349 639 190 837 122 1178 254 124 257 225 237 192 174 116 103 108 661 184 196 257 382 314 325 341 232 175 422 52 481 1412 183 170 515 224 1842 165 209 1070 254 159 528 692 2818 420 122 440 157 322 296 371 1182 275 28 553 286 79 110 102 268 304 38 178 191 402 644 230 225 173 359 43 2052 237 122 212 198 308 324 370 470 485 153 482 523 130 225 368 947 756 231 652 110 184 147 574 274 253 854 317 149 1405 209 254 498 237 220 623 570 315 200 824 159 292 1109 112 168 82 360 301 175 426 135 142 164 94 237 65 234 268 289 319 165 308 143 334 182 278 424 154 896 320 75 167 183 232 117 304 82 183 266 157 219 268 382 76 226 300 98 181 1142 1252 372 61 187 184 719 246 1005 259 42 192 288 753 181 119 355 428 154 538 211 137 77 110 180 293 523 772 200 234 282 159 172 357 277 261 54 127 302 618 690 482 553 476 186 221 204 120 188 508 1082 572 379 1230 213 609 233 652 624 681 329 164 606 162 882 325 357 461 154 509 115 162 509 2-ketoisocaproic acid 31844 20944 27602 22953 32550 20914 29177 32175 25376 19124 37921 22628 32867 37458 29891 36177 25586 24904 24201 18173 28886 37293 38964 25431 13808 33024 26706 25796 27924 33823 28021 25217 33001 18016 29084 29859 24274 15911 24169 22033 24036 24825 26808 34389 17847 27531 43192 19900 30177 26024 41576 32621 27295 27701 18458 22594 20143 28767 34495 23338 19403 26318 22670 41048 25533 26530 30100 24589 28301 26533 28421 34850 29013 24345 21558 29871 27966 26308 14676 24107 29561 22271 17062 26865 21418 24245 28195 35632 26290 18187 18775 15673 22727 21489 18706 16368 22240 19176 12842 18364 25481 21442 25939 23390 32358 26395 36633 20223 18265 19534 13887 21428 25362 41704 26424 27779 23842 17699 16142 31353 22937 16847 26190 24597 23865 27895 8652 19491 30094 16416 26122 21827 31009 22251 25422 18425 31449 23645 33317 22455 14340 17861 37213 23565 23300 21037 22758 23205 27583 24010 18510 30822 41882 17104 26924 22858 32008 28945 21522 13975 17992 14486 19488 27010 29756 27063 36657 24124 23722 17867 24562 40097 26336 21190 21452 23189 23426 22525 26774 15099 10773 46037 22027 22432 34055 44564 24367 24431 37206 23420 30209 10760 24225 28676 29710 28423 17715 39330 27511 39449 16254 22802 26948 41489 28193 24600 21569 17154 38582 23026 32567 30823 32279 25803 31489 38096 22925 15544 23717 28573 36044 23707 33620 34040 29086 27116 25850 20750 30433 27061 25222 30070 31732 25585 28316 18419 21877 23465 21023 29892 22812 29210 35467 15513 32387 28939 22415 20586 41581 23658 34346 27860 33060 26842 28195 23796 22904 33217 28961 36332 28394 24487 23158 33473 15653 33300 30511 40308 23713 17661 28962 26517 24851 13185 23022 20823 25644 37747 28938 37084 29333 31297 28078 19786 32869 21809 23381 29590 27798 25413 25435 32178 24328 23568 34948 23855 37285 23189 29783 10671 22834 27124 33540 26959 25225 34047 24244 21776 29390 24150 16091 39301 28142 26797 29056 31640 25804 40799 29081 23607 34101 21265 31436 27377 25245 17920 32333 35171 17611 22748 36565 28376 24274 28199 24337 26589 24146 22304 29011 18347 24957 31880 26392 34577 42282 20115 20987 37801 29143 27816 16157 38067 31741 34468 20328 32512 2-ketobutyric acid 15339 5127 6055 6820 6410 5403 13418 21240 10396 11212 5233 8678 11332 6222 22676 6691 5654 7612 4883 5524 8448 15970 12948 5829 8566 6178 6423 14918 7224 6458 5864 6090 6262 7047 15935 6125 14998 6028 5525 4932 5531 6077 13210 6728 6719 10837 6120 5648 11599 12188 6048 15698 5240 4273 11179 9256 6052 10404 18131 6941 6123 5728 5669 19647 7063 9699 11106 10838 9889 5360 6354 8427 8123 8394 5461 7905 7382 5633 5311 7093 11687 5369 17177 2972 10613 14852 12662 889 5681 6373 4626 6558 12461 5050 4126 9610 6494 5957 7207 5288 3222 4456 6735 12111 3522 4410 13599 9692 10964 4459 6092 3986 10989 856 11576 6311 14748 9678 5280 12710 11935 4588 13125 14883 15292 2777 4326 3310 1037 3962 14110 5338 5469 10582 10593 8742 15410 11856 22501 5075 4622 10482 5133 13127 4275 1214 9821 7042 4289 8444 7262 18240 19692 9331 13628 11125 5654 6239 12254 3671 1850 4817 6248 4945 13318 5604 16106 4926 3976 7803 2748 7073 2823 7080 11220 16660 5193 5066 6070 5198 9918 5974 7669 11488 4933 10150 4116 4604 17841 8669 4790 8248 6136 6619 5159 5596 9746 5065 15828 4947 13622 1169 18004 2352 4984 12462 5236 6102 1083 12246 6481 18604 18057 5148 5239 7613 4481 4506 5748 5442 18982 6214 3932 3222 1191 6263 5987 5032 5349 14627 2761 3447 4775 12370 12315 11997 4868 4862 10711 18828 5747 10938 6401 5826 2099 5965 5499 1114 5112 7088 17037 5971 7019 5713 12748 6422 15129 5087 12562 6755 3398 11345 5177 5709 13267 879 18053 24383 5311 5357 7571 1844 15038 4830 6236 4083 4444 5849 14043 19032 5579 4636 6097 4371 6153 13247 5488 5374 6114 4319 3391 7133 13944 14690 5519 1684 4629 5795 14185 5080 15824 2317 6826 11726 15693 5345 5608 6130 5339 2425 5206 2810 1078 12712 2581 4712 5939 1871 16643 5075 3328 15521 4828 5229 5651 13461 4757 5800 5986 15281 23479 5286 4695 13110 11554 6861 6407 5299 7337 5464 4997 16866 2420 4130 7028 4717 7311 3179 5097 1859 5450 7077 3093 4218 6660 4962 2-hydroxyglutaric acid 416 315 408 307 464 410 390 427 227 368 215 371 339 462 370 334 297 254 180 327 461 290 420 266 298 327 368 390 260 333 299 236 239 301 289 422 367 342 309 334 344 290 529 414 390 264 505 551 238 307 371 308 344 233 265 388 507 449 395 246 311 444 510 423 411 817 189 610 360 342 288 396 281 279 379 372 430 507 416 318 471 266 295 0 212 408 700 314 474 242 365 331 350 469 471 308 310 706 434 373 554 205 373 348 321 369 466 307 205 458 626 470 385 592 376 276 429 675 651 431 441 515 312 187 652 341 541 536 393 374 490 340 413 384 298 546 642 358 522 344 367 319 475 323 446 503 424 710 314 638 248 474 410 347 449 389 305 362 394 1028 551 407 393 269 324 402 277 1181 409 313 402 335 286 324 394 460 439 411 297 244 400 526 301 552 482 316 461 364 961 317 297 499 504 535 267 513 487 710 539 307 518 319 479 300 268 291 571 725 420 594 332 529 1262 381 258 297 521 325 735 660 337 396 356 430 330 264 476 933 448 301 357 352 598 329 423 448 366 425 582 345 288 272 496 631 279 237 396 363 285 277 299 360 235 300 388 177 276 417 302 552 324 214 415 334 603 893 373 403 468 314 322 332 326 261 293 527 322 253 345 299 347 859 319 427 430 337 396 367 393 394 296 319 220 321 415 254 326 568 420 335 401 323 360 343 443 413 367 276 231 290 389 329 410 298 278 396 627 607 302 266 317 439 493 437 518 620 744 611 481 265 498 443 326 422 546 266 349 217 411 335 448 422 393 330 480 422 251 379 351 425 482 291 340 364 327 477 2-hydroxybutanoic acid 93128 52522 112991 107660 84089 81420 110843 112644 101744 73628 138420 74591 76845 198851 194027 133641 89518 110525 32744 106822 116848 118984 108935 116812 37758 142634 109232 76878 115643 94736 73344 79988 51999 63757 83961 130225 94502 45028 90915 56886 59429 104501 58703 116249 86955 74792 269536 51319 122247 78603 159254 123567 109506 36511 88004 61606 32397 87118 59929 169112 56387 298056 44343 78972 112407 72249 60112 97471 58894 129380 164022 230420 82296 169416 102537 174606 153467 62333 65138 99300 94061 107787 72178 117773 142018 116829 259519 129250 123551 45118 70054 57794 105742 60730 51757 66175 137349 147902 67579 95096 184557 74552 94499 95915 293052 60110 140940 118302 57542 101198 79394 93216 138225 100919 121758 131606 81762 86950 33416 93751 95013 83991 66947 87776 76819 99786 32622 97075 192911 87591 116376 117666 61809 51264 165416 69862 68223 101002 69740 69203 74255 66605 75381 53972 46164 61941 100232 50059 113883 101694 94436 119065 84013 74928 43364 88626 158024 101446 136310 21207 179248 29482 161362 118535 72825 82508 120490 28920 80485 115177 120628 122889 138446 85717 89624 84013 91029 98411 129040 80064 24147 209067 44754 51912 56442 203583 184254 181475 180079 84212 94901 20341 57381 91640 179036 224266 122739 98942 71720 203652 143224 120540 184694 89091 101698 137009 51888 92814 168843 60434 164761 157670 37254 56428 138241 252002 48878 128635 59334 87910 148139 99842 146047 143571 101087 149346 93979 208086 61083 156829 121593 99162 130546 106621 66722 97738 103872 85242 96493 88052 76272 75639 310705 60118 55312 110522 116617 70912 86316 115463 114313 132871 168597 86760 144589 74355 88392 138590 85773 205473 131561 65826 79682 136270 55409 271510 71457 73067 61685 40318 129719 100325 80662 47760 82448 91418 109186 183344 100475 127132 133113 282911 135858 44594 110040 65246 154142 78125 180521 159733 124408 242334 72232 117473 111133 90090 70163 137255 76511 32985 167371 76744 113611 116315 86578 226546 103308 93780 71119 68978 56968 82990 101055 89506 92192 197515 76233 149170 155973 173546 100591 122296 84707 102290 129305 59417 89637 114191 90308 135282 224673 67821 71879 80975 71477 52829 138180 88526 53092 143155 97901 143212 113443 129755 131284 88452 104364 176637 73767 171286 39208 250892 77989 125394 116038 206589 2-deoxytetronic acid 1126 910 983 943 1395 1253 1018 1194 856 470 1371 467 1088 1491 624 1334 1015 1093 806 881 1023 255 1038 1513 1148 1088 934 1077 1048 820 1483 919 829 1211 1327 1225 876 1139 420 880 1082 513 1428 856 1309 1010 1403 1502 984 822 1187 1238 1087 1713 908 1184 1336 754 1222 547 634 1223 317 1446 987 1502 1890 2030 1308 1047 1296 509 699 1433 1252 1153 1334 1537 1122 824 1524 639 970 0 760 845 2107 1316 1092 825 819 737 957 748 1074 670 971 1518 2036 1060 677 1461 820 1413 1218 1211 1380 1049 1509 1422 1297 1366 1274 1696 1399 1353 1205 2319 2743 360 730 1120 573 876 2286 2421 1345 1275 171 1017 1207 1309 1496 822 1404 1175 1862 1414 360 575 585 839 1596 633 939 1395 955 2104 1369 1019 785 1243 970 1021 1235 1176 1473 1136 1304 3481 1382 364 752 1251 956 1164 887 4775 1218 1437 638 1069 602 958 783 814 1233 2136 936 1205 1558 2111 285 1273 1743 969 1289 1538 2529 746 1002 924 3277 1884 1031 1373 1387 1096 1193 1060 1021 1133 2039 1145 1251 929 1738 1266 550 1305 2000 1934 2096 1181 1102 1290 1060 1388 2590 814 1255 923 1263 1473 1299 713 963 1604 1181 1307 628 798 1740 1192 961 1108 1386 1194 510 818 1231 1033 1147 433 1095 2030 1281 1325 1024 1076 1057 1067 242 967 2241 1293 1262 2017 1056 1347 1350 1041 885 854 1323 1473 1178 1297 426 1337 1026 844 1293 782 883 1543 232 373 1353 732 1333 873 438 1360 2265 1449 1246 796 897 1638 1207 853 1546 889 1232 1096 1081 1568 961 1563 744 1064 1451 1365 1784 1572 1439 1398 949 1075 1068 1639 466 864 989 1244 1068 2060 1431 1403 941 1261 5186 1170 1229 1254 1565 1354 913 1017 1400 1231 1145 1594 215 632 2461 586 845 1011 876 2706 1393 647 1544 1416 999 1593 820 904 1527 1226 1447 2004 1359 1937 2-deoxyerythritol 1277 1068 596 1754 1159 1459 1189 736 1368 1069 1236 1246 2038 1001 1094 1117 2092 2977 1013 735 2102 2240 1033 778 1860 1192 911 1811 2055 655 663 987 3012 886 3869 955 917 1429 3169 1005 1023 517 1714 678 1191 1361 7374 3257 480 898 991 920 2195 2378 842 1637 2473 2152 1392 782 1456 2920 6914 3932 1172 2085 3678 3831 2493 1199 1152 699 968 1386 542 951 991 2401 1399 1073 4245 1840 185 0 1457 1208 1976 1008 1582 727 926 1056 1430 1044 1086 1200 2032 3555 1415 597 533 1405 3163 2234 766 946 2623 1835 1752 831 1036 2566 747 5568 2837 3622 830 600 2471 436 968 1103 680 492 1455 3427 1882 654 988 838 550 1960 494 760 835 2232 2141 2052 2136 771 784 1268 3647 942 942 1118 1199 4189 1105 830 673 1578 387 1044 1798 602 946 961 1649 4921 669 1727 798 770 1269 1070 700 4606 1884 968 2629 2440 1077 1523 1167 2647 1179 2300 1537 1445 1448 1652 1672 1478 4275 727 1018 1062 6166 1544 3560 3064 1560 2865 641 1087 1060 4288 2024 1097 2116 2415 1488 1581 1657 765 2551 5129 1015 2179 2479 1087 3760 1484 868 3012 1793 1223 3481 1516 1016 618 1059 1683 2377 1174 1152 2014 1221 985 1963 2987 1772 1599 1006 1316 2484 1692 1634 662 913 1785 1095 738 3384 2546 1438 1854 2940 1116 439 1929 1066 2477 1755 1098 2625 1841 1810 1086 1330 1416 1267 1692 956 7496 3081 3694 3879 1243 836 1424 2196 2122 1206 3398 3420 1929 1597 1060 996 12145 2502 5199 3295 1209 2590 2238 1075 3372 747 652 1452 755 681 934 1411 4075 4811 1479 1280 1001 1113 2519 5549 1183 1226 1239 852 2159 1217 1502 2226 942 1474 1290 2671 7906 1302 2153 3115 1135 1281 1262 6569 2436 2841 7049 1293 1005 869 1174 1044 2248 3393 577 3922 1184 1129 1835 1337 3414 889 636 2887 2827 1783 1238 870 1574 1433 597 2965 1926 900 769 2-aminobutyric acid 55102 41782 69422 82158 56247 81597 96115 46412 81948 77108 88081 100458 63868 77217 68123 156308 59143 52890 71239 58117 94391 102031 92801 92380 65453 133158 56981 64265 63380 76081 51617 79492 70200 31319 56067 73435 60583 65966 83217 70365 34246 64515 54727 83094 82426 62700 69539 68007 70861 43779 125977 79420 125157 33982 52379 40792 33257 58870 46169 64623 42222 147052 67775 31362 73864 61204 18038 49958 48594 83322 53130 100328 60098 74246 78314 129107 110682 64580 45509 68449 54341 44323 36874 59437 70665 116163 173447 64058 96709 47153 40929 68669 82391 63543 58753 45888 79546 87867 73759 85811 65481 61733 74603 144968 80474 47460 91532 52514 47933 53908 43333 57493 41406 72774 71182 43703 52641 38632 44817 58209 52435 69185 52569 59562 22433 32839 51696 42188 30336 42840 57360 43978 38681 50002 84153 53088 37135 58254 50638 32447 51699 64488 39563 59222 30890 66728 67389 38803 27069 87811 50939 72443 78708 80638 20689 112485 118464 86637 115023 34070 59017 32090 92705 55828 52214 53990 80950 29739 48261 67455 57198 82152 57416 65140 56775 57609 76510 43391 57940 65314 32330 51251 60952 39786 16412 75439 70268 48156 93112 78930 64102 32192 65230 36778 66229 53008 30244 75896 44322 84060 70026 92123 38457 68634 48049 115530 49434 69003 63542 39417 83437 31184 20660 30901 42443 143847 35406 35429 35857 34807 63413 66286 86890 35513 56961 58967 74970 50673 30273 77859 61583 54190 56602 103812 81782 47752 39213 43981 98841 28595 50077 70445 76523 60490 51400 42822 57930 46365 34043 77328 60566 27456 40969 87996 90868 46628 40893 61964 63360 57855 61243 68115 50983 46753 28320 59434 33681 17604 43658 18810 57360 75207 48063 72179 66600 51449 69946 41997 46630 32827 38273 32323 49707 18245 39872 68338 76967 52393 60361 55381 115116 47467 29928 57137 54140 88634 34224 41465 54663 28922 59694 54300 55657 54118 48925 33847 47200 40398 57235 61062 51056 52017 57081 44049 51053 67072 34787 84669 54162 33441 61946 31704 75506 43047 29421 53109 31538 43381 43600 84268 47465 51751 29443 66690 53563 32652 42064 54655 32700 43222 49373 23562 47694 64648 73876 58990 74935 11652 33601 36475 17777 124873 30894 43244 36471 50695 2,8-dihydroxyquinoline 355 251 291 195 251 290 323 283 102 181 217 229 347 190 233 186 314 154 203 314 204 197 292 196 229 216 363 254 152 243 173 235 199 226 246 210 170 254 164 226 271 168 249 218 258 261 249 336 226 246 252 270 312 723 306 290 210 313 150 187 301 181 571 243 218 215 928 381 356 285 249 59 202 246 239 264 253 214 183 195 345 274 165 0 196 270 166 245 271 156 219 160 182 208 177 246 237 199 196 192 220 250 238 321 96 206 284 270 276 176 291 292 113 166 222 257 270 379 385 247 265 294 178 156 379 289 218 276 210 183 136 247 354 194 222 276 403 218 185 281 242 343 151 344 233 210 221 341 211 327 256 233 146 282 229 355 268 217 322 1103 260 285 236 252 246 283 232 1938 277 229 315 290 320 215 206 272 306 432 317 272 317 254 219 311 359 243 290 298 348 161 297 443 274 312 251 305 283 318 206 115 371 205 313 245 247 232 372 199 275 173 213 283 261 204 261 192 238 292 397 262 342 310 160 282 337 291 273 218 303 235 343 311 265 176 318 302 292 261 267 211 410 245 220 205 259 355 230 218 186 224 235 319 193 267 418 243 171 154 318 217 299 190 432 225 308 159 414 232 232 239 191 250 259 225 281 220 249 191 271 279 495 227 348 219 399 275 290 211 282 286 295 144 324 390 216 185 201 263 246 464 316 231 208 302 337 328 232 275 242 255 352 267 148 215 195 231 231 283 240 223 232 253 237 231 232 271 241 232 241 154 256 265 141 291 380 277 130 163 273 271 214 167 362 223 301 263 245 315 358 173 249 192 351 378 255 194 2,3-dihydroxybutanoic acid 704 1472 546 451 1044 508 651 1240 1010 852 542 594 967 476 1150 983 693 810 910 764 712 444 726 749 660 566 445 680 758 276 637 652 2423 723 616 776 892 703 621 772 497 417 675 690 862 734 659 895 564 847 685 805 698 956 426 535 699 990 380 295 845 753 737 1034 1072 786 1285 613 631 1003 1062 526 377 357 552 752 970 790 545 576 802 1198 120 0 742 873 981 803 737 472 915 667 575 1025 1287 736 879 1557 767 573 427 999 962 975 539 936 981 887 1145 837 752 1036 451 965 1005 1164 835 832 585 461 466 535 176 699 1451 1454 626 531 416 943 211 569 1328 628 840 1044 1557 372 586 451 964 669 717 512 486 647 904 1184 750 624 389 422 418 485 1002 464 708 765 1015 1274 727 815 719 617 457 899 682 1737 978 875 594 712 680 628 1006 590 436 679 683 529 548 513 492 1328 624 1149 1168 1159 1144 539 883 665 1272 748 907 1266 1680 693 479 895 776 1731 929 1084 900 587 977 919 1032 711 1723 978 654 1308 1129 508 757 543 792 937 964 1009 755 1638 837 1108 397 374 787 826 518 514 771 1184 1609 542 558 681 289 668 818 1115 755 660 608 825 626 828 1264 436 694 951 523 894 786 1040 593 1489 1411 959 723 611 453 592 966 219 1043 1469 1386 415 734 667 672 1123 1019 1307 914 726 2097 562 375 233 559 692 1079 1138 1693 1190 444 1201 823 521 1128 763 1084 795 521 957 851 629 809 1466 471 1032 1695 1172 553 589 829 500 829 824 1178 914 865 589 901 456 598 842 634 1150 925 479 1278 523 1312 657 1012 566 861 1030 1568 526 657 353 1327 690 109 937 910 1755 843 876 507 1023 477 931 571 680 682 1000 748 1049 951 522 1-monostearin 1066 259 150 164 36 120 74 228 176 192 143 114 163 162 181 183 193 185 162 162 172 225 198 83 141 125 198 127 101 383 135 136 130 163 145 166 131 138 144 178 197 150 269 151 67 136 197 157 135 162 177 114 192 105 121 170 145 195 109 136 106 125 303 140 26 199 115 153 203 222 83 103 117 171 209 126 170 167 128 144 117 123 600 0 232 282 219 164 196 114 225 89 179 203 170 218 165 186 142 117 209 127 189 248 241 82 271 152 105 182 186 202 356 187 142 89 216 193 300 144 175 173 139 73 217 176 212 165 102 175 168 270 280 121 214 150 155 186 123 171 223 124 198 94 562 153 205 230 133 70 192 132 278 104 197 179 97 109 167 227 192 297 202 170 100 183 100 328 320 193 318 462 111 140 186 183 132 164 189 169 239 309 154 204 188 154 210 126 160 85 158 151 127 232 195 196 187 149 193 198 247 232 158 240 146 110 88 171 101 546 201 99 241 102 212 208 103 214 640 221 163 158 223 155 128 123 146 234 289 156 192 175 125 195 179 73 93 166 284 217 179 210 210 192 180 89 139 194 144 153 181 187 364 70 279 166 118 180 207 124 281 195 140 63 207 245 251 140 107 162 181 154 250 104 143 86 168 122 169 146 183 302 186 238 179 216 131 92 140 268 98 152 245 93 133 200 556 204 102 108 195 188 119 129 151 227 147 185 151 141 161 264 177 184 68 123 158 167 210 255 68 126 130 130 151 136 186 166 154 94 110 246 139 142 84 150 124 144 211 214 273 180 94 168 209 167 159 132 205 313 223 242 186 116 238 108 1-monopalmitin 409 911 200 291 395 195 162 416 274 234 232 220 302 230 279 234 240 330 515 265 237 301 375 285 210 309 233 250 325 127 253 229 359 243 257 323 327 256 357 267 274 171 184 265 179 229 328 276 244 211 286 221 248 152 306 198 167 250 316 199 190 258 353 281 238 199 194 250 231 461 226 196 208 179 194 296 274 223 339 364 236 167 760 0 384 213 608 338 215 136 236 235 286 244 201 247 297 254 253 180 306 480 186 337 694 293 302 186 324 274 584 279 732 430 325 182 267 1112 437 291 246 309 374 404 290 351 273 235 249 288 262 377 349 334 160 168 208 344 360 229 304 222 295 185 645 216 174 224 353 214 236 231 359 213 317 384 234 160 195 454 297 394 327 237 183 218 318 378 258 350 550 429 243 134 245 190 254 404 253 231 354 395 307 208 361 447 219 272 250 280 267 248 220 377 355 245 314 288 337 358 273 289 385 282 303 548 300 241 283 578 344 344 309 186 254 329 188 240 320 277 325 276 265 260 285 383 356 325 292 252 275 236 306 348 238 313 215 322 441 453 256 250 235 274 497 417 329 368 561 271 915 459 1569 320 841 378 391 709 233 363 391 253 288 380 256 363 315 520 438 390 467 285 417 310 302 538 265 243 649 331 370 944 332 581 189 381 415 262 220 215 247 414 515 357 246 312 990 439 227 246 242 190 245 199 285 640 308 761 264 257 267 391 488 192 285 296 281 323 248 326 273 287 172 409 286 171 361 209 121 179 242 316 250 211 212 279 363 212 189 284 991 598 271 265 308 172 224 319 175 408 627 273 257 362 210 276 1-hexadecanol 305 235 304 482 383 285 281 340 464 339 417 279 311 489 389 371 298 478 341 640 425 400 558 300 342 484 340 370 381 324 688 373 396 293 476 460 351 467 358 391 405 459 315 408 344 569 486 844 264 340 310 304 557 400 336 416 371 364 420 407 335 409 655 593 497 506 612 330 455 506 458 491 402 656 307 588 651 372 437 311 749 491 1646 0 561 373 501 363 248 300 409 605 360 396 593 532 800 355 388 548 624 552 518 745 550 615 374 496 387 927 543 879 588 462 519 447 430 412 1140 496 499 682 644 346 537 333 564 518 637 459 335 637 653 610 482 569 723 665 439 526 598 342 359 307 695 384 349 593 551 463 294 433 644 715 554 631 605 743 342 343 449 501 395 310 272 369 346 822 665 764 444 500 254 294 356 350 607 500 363 613 491 692 260 208 396 458 543 464 934 453 322 341 459 326 352 433 634 758 355 375 478 521 471 360 564 646 350 359 327 386 285 447 426 360 517 805 393 343 487 389 350 403 654 454 514 605 342 322 301 428 382 571 529 556 600 392 386 451 483 435 613 461 789 308 441 348 437 486 707 557 313 473 480 358 499 419 354 335 450 707 502 330 365 374 416 250 351 551 434 832 299 371 248 300 474 440 415 442 361 267 384 450 302 321 463 685 324 555 280 488 424 403 545 330 523 369 725 391 237 324 451 423 270 669 541 591 342 401 333 277 301 343 507 412 360 428 235 437 334 391 425 352 383 360 528 306 439 413 375 379 446 393 348 415 348 301 339 433 340 384 733 343 584 428 399 349 261 297 441 823 661 715 590 395 457 600 1,5-anhydroglucitol 75659 223750 92792 207778 247847 182323 186912 108997 183303 175217 102187 192507 135009 118957 118380 158830 206221 48374 194507 181353 122761 187829 148345 171385 92472 148143 122299 215224 50683 169249 182101 110623 192133 180750 201132 262388 225850 103631 166838 163490 222158 167136 234147 174393 135999 182064 101788 73282 218636 223219 127740 214324 170328 19193 197870 193527 208449 61979 186400 177713 176678 75152 77812 113659 211814 114054 9533 255967 209041 53517 195186 205127 169563 210812 152137 186338 118994 115376 131456 136660 229526 172371 60048 206437 133181 146840 158377 202588 118432 196825 191667 122498 113405 109598 174255 165394 117843 173975 243549 180083 151729 176180 92621 151212 57424 193223 184960 190640 186061 143162 193896 156443 76668 166821 191027 202325 191244 194847 362861 115974 169972 228112 132695 166763 79406 160288 281534 187907 101405 113243 152039 226057 145563 316746 248284 179141 62237 154459 115915 137812 116612 258056 138510 197779 299424 122507 257095 198679 218308 278959 158473 127921 104181 262233 235569 187625 169055 109674 265293 45181 146705 206079 299655 132280 154184 226051 149823 46025 216077 135293 37822 171303 195063 178273 261398 138057 197546 23871 223322 192853 33709 148133 41431 215379 339067 78115 188227 308129 185895 146409 204019 148710 200947 333194 76412 177870 267071 190540 208182 179822 193588 28936 268495 155462 219056 172277 240445 123691 142841 186117 30638 260672 204416 196947 261988 135650 160448 83581 263294 146132 192869 166503 155113 156460 124794 70140 126827 176301 192859 115672 7954 81615 164172 132955 188110 147978 144837 98478 132175 182707 89974 86729 131311 161889 17218 42610 126160 144270 153231 122704 133133 151387 258539 228318 114690 189688 168432 247113 86669 136441 266403 130047 19572 126060 158228 109053 39330 175105 137630 128549 239488 103548 127422 200184 190959 298730 248327 104475 80848 148350 17943 146160 112834 194058 319813 253737 68028 138647 93647 337440 233439 149246 228286 16213 169147 222503 105284 201087 109661 40722 190593 220660 52288 149762 144809 52182 35863 182083 219219 84552 53625 224067 224370 217147 117085 89003 251619 154122 119084 47272 127643 124167 114047 311598 178559 173395 234530 99173 288803 149828 139461 106286 152235 257735 172081 171095 129271 163587 214910 187063 170398 155313 21347 152390 208118 172634 124445 5725 12829 52029 156337 161376 220536 6539 177979 48068 2,5-dihydroxypyrazine 694 733 540 712 653 804 495 453 584 693 805 592 563 724 457 924 521 460 798 569 877 696 646 638 653 766 795 590 401 552 608 525 655 220 599 839 689 895 669 838 819 531 746 691 704 471 831 855 572 635 719 916 784 566 701 477 906 758 760 554 656 350 2077 768 633 861 607 766 857 753 545 566 600 734 565 819 888 880 430 697 691 500 400 0 638 513 514 517 695 728 542 629 581 676 756 603 712 479 809 629 607 608 626 813 533 584 588 640 604 750 575 625 515 397 732 819 638 557 756 651 613 646 460 619 572 802 478 681 508 538 473 699 839 704 704 754 701 640 526 564 590 981 696 651 718 614 514 581 650 759 405 711 874 875 515 789 614 678 558 724 680 638 538 554 576 614 568 989 550 501 430 644 609 583 662 776 839 618 812 547 610 626 377 507 617 527 255 710 1086 686 654 520 585 699 546 834 739 894 714 708 676 491 809 1060 627 781 612 725 544 621 412 870 843 1012 806 618 680 656 710 1011 518 905 765 670 656 319 727 549 1611 465 761 815 1065 882 833 852 897 724 742 940 455 1186 927 927 663 858 666 668 732 618 793 923 614 752 916 581 1028 354 872 672 735 652 566 795 1095 506 823 648 690 644 761 668 862 490 618 491 589 716 495 719 707 883 1021 802 649 435 569 447 1004 677 869 770 683 454 402 628 448 755 742 381 749 528 552 520 487 538 859 735 643 556 453 668 348 603 611 630 672 590 605 817 585 931 551 755 1159 955 1074 650 640 572 1621 828 712 1128 781 781 805 626 876 1216 1032 779 472 604 790 1239 991 802 440 744 974 664 905 657 783 770 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG pubchem ret ind m/z xylulose 439205 C00312 553450 173 xylose 546308 307 xylitol 6912 C00379 567437 217 xanthine 1188 C00385 701688 353 valine 6287 C00183 313502 144 uridine 6029 C00299 856709 224 uric acid 1175 C00366 730691 441 urea 1176 C00086 328888 189 uracil 1174 C00106 385735 241 UDP-glucuronic acid 17473 C00167 587601 217 tyrosine 6057 C00082 671252 218 tryptophan 6305 C00078 780482 202 trans-4-hydroxyproline 5810 C01157 484934 140 thymine 1135 C00178 420133 255 threonine 6288 C00188 408777 218 threonic acid 5460407 C01620 497572 292 threitol 169019 C16884 467595 217 tartaric acid 444305 C00898 534291 292 tagatose 439312 C00795 629499 307 sucrose 5988 C00089 912704 271 succinic acid 1110 C00042 370608 247 serotonin 5202 C00780 863824 174 serine 5951 C00065 395020 218 salicylic acid 338 C00805 480699 267 saccharic acid 33037 C00818 699211 333 ribose 10975657 553071 217 ribonic acid 5460677 C01685 599680 292 quinic acid 6508 C00296 634900 345 pyruvic acid 1060 C00022 213805 174 pyrophosphate 1023 C00013 326948 110 p-tolyl glucuronide 154035 847531 180 psicose 635244 307 pseudo uridine 15047 C02067 813899 217 proline 145742 C00148 364523 142 piperidone 12665 275603 156 pipecolinic acid 6931662 404121 156 phosphoethanolamine 1015 C00346 603912 299 phosphate 1004 C00009 345365 314 phenylethylamine 1001 C05332 513300 174 phenylalanine 6140 C00079 537804 218 phenol 996 C00146 218927 151 p-cresol 2879 C01468 280360 165 parabanic acid 67126 C00802 464991 100 palmitoleic acid 445638 C08362 704511 311 palmitic acid 985 C00249 713809 313 oxoproline 7405 C01879 485935 156 ornithine 6262 C00077 527113 142 octadecanol 8221 755409 327 naproxen 156391 C01517 737107 185 N-acetylmannosamine 439281 C00645 735323 319 n-acetyl-d-hexosamine 24139 C03878 746341 319 myristic acid 11005 C06424 634414 285 myo-inositol 727312 305 methyltetrahydrophenanthrenone 590106 197 methionine sulfoxide 158980 C02989 637588 128 methionine 6137 C00073 483560 176 methanolphosphate 13130 289520 241 mannitol 6251 C00392 663215 319 maltose 439186 C00208 946601 204 malic acid 525 C00711 463180 233 lysine 5962 C00047 662197 174 linoleic acid 5280450 C01595 777414 150 levoglucosan 2724705 569637 204 leucine 6106 C00123 346101 158 lauric acid 3893 C02679 547906 117 lactulose 11333 C07064 929908 204 lactic acid 612 C01432 217657 191 kynurenine 769709 218 isothreonic acid 151152 C00639 489385 292 isoleucine 6306 C00407 356963 158 isoheptadecanoic acid 164860 737927 117 inositol-4-monophosphate 440043 C03546 845976 315 inosine 6021 C00294 897434 230 indoxyl sulfate 10258 577333 277 indole-3-propionic acid 3744 732249 202 indole-3-acetate 802 C00954 684929 202 hypoxanthine 790 C00262 619128 265 hydroxyproline dipeptide 61159526 879596 156 hydroxylamine 787 C00192 253158 146 hydroxycarbamate 16639161 325318 278 hydroquinone 785 C00530 422583 239 histidine 6274 C00135 664395 154 hippuric acid 464 C01586 641115 206 heptadecanoic acid 10465 751309 117 guanosine 6802 C00387 954962 324 guanidinosuccinate 439918 C03139 557299 328 glycolic acid 757 C00160 227636 177 glycine 750 C00037 255803 102 glycerol-alpha-phosphate 754 C03189 590747 357 glycerol-3-galactoside 16048618 C05401 805227 204 glycerol 753 C00116 344466 205 glyceric acid 377308 189 glutaric acid 743 C00489 421596 261 glutamine 5961 C00064 600000 156 glutamic acid 33032 C00025 529100 246 glucuronic acid 94715 C00191 665901 333 glucose-1-phosphate 65533 C00103 594647 217 glucose 64689 C00221 657941 319 gamma-tocopherol 92729 C02483 1026121 223 galactonic acid 128869 C00880 690882 292 fumaric acid 444972 C00122 390775 245 fucose 439650 C02095 578299 160 fructose 439709 C02336 641863 307 ethanolamine 700 C00189 342561 174 erythrose 439574 C01796 443306 205 erythronic acid lactone 5325915 C02341 407495 247 enolpyruvate 1005 C00074 234394 217 docosahexaenoic acid 445580 C06429 902819 91 dihydro-3-coumaric acid 91 C11457 582960 192 deoxycholic acid 222528 C04483 1106875 255 delta-tocopherol 92094 C14151 997765 208 cystine 595 C01420 804619 218 cysteine-glycine 439498 C01419 715335 220 cysteine 5862 C00097 500158 220 cyanoalanine 18647689 404807 141 creatine 586 C00300 502071 115 conduritol-beta-expoxide 9989541 701723 318 citrulline 9750 C00327 621404 157 citric acid 311 C00158 617342 273 cis-gondoic acid 5282768 C16526 847372 367 cholesterol 5997 C00187 1076014 129 cerotinic acid 10469 1033286 145 catechol 289 C00090 376695 254 capric acid 2969 C01571 452386 229 beta-tocopherol 8989 C14152 1022815 223 beta-alanine 239 C00099 435564 248 beta sitosterol 222284 C01753 1125768 129 benzoic acid 243 C00180 339214 179 azelaic acid 19347555 C08261 610551 317 aspartic acid 5960 C00049 480387 232 asparagine 6267 C00152 553078 188 arachidonic acid 444899 C00219 834339 91 arachidic acid 10467 C06425 856421 117 arabitol 94154 C01904 572730 103 aminomalonate 100714 C00872 455754 218 alpha-tocopherol 638015 C00376 1066526 237 alpha-ketoglutarate 51 C00026 507392 198 allantoic acid 722792 259 alanine 5950 C00041 240378 116 adipic acid 196 C06104 474435 111 aconitic acid 643757 C00417 586815 229 6-deoxyglucose 93579 575986 117 4-hydroxyphenylacetic acid 127 C00642 542795 179 4-hydroxybenzoate 135 C00156 537925 223 3-hydroxybutyric acid 92135 C01089 278829 191 3-deoxytetronic acid 192742 390517 117 3-aminoisobutyric acid 64956 C05145 452655 248 3,6-anhydro-D-galactose 16069996 C06474 588886 231 3-(4-hydroxyphenyl)propionic acid 10394 C01744 598147 179 3-(3-hydroxyphenyl)-3-hydroxypropionic acid 102959 632357 267 2-ketoisocaproic acid 70 C00233 310761 89 2-ketobutyric acid 58 C00109 243116 89 2-hydroxyglutaric acid 43 C02630 506306 247 2-hydroxybutanoic acid 440864 C05984 258161 131 2-deoxytetronic acid 150929 433456 189 2-deoxyerythritol 18302 355045 117 2-aminobutyric acid 6657 C02721 285825 130 2,8-dihydroxyquinoline 97250 C06342 626989 290 2,3-dihydroxybutanoic acid 250402 384796 292 1-monostearin 24699 D01947 959214 203 1-monopalmitin 14900 C01885 901749 371 1-hexadecanol 2682 C00823 679596 299 1,5-anhydroglucitol 64960 C07326 633603 217 2,5-dihydroxypyrazine 23368901 397526 241 METABOLITES_END #END