Data for (Study ST002977)

(Analysis AN004888)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3F4
(10)-GINGEROL 0.4213 1.9492 NA NA
1,1-DIKETO-1,2-THIAZOLIDINE-3-CARBOXYLIC ACID 1.0853 1.2897 NA NA
11-HYDROXY-9-(HYDROXYMETHYL)-2-(METHOXYCARBONYL)-2,6A,6B,9,12A-PENTAMETHYL-10-[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID 0.3808 1.9912 NA NA
11S,12R-EPETRE 1.7256 0.6482 NA NA
1-(2,4-DIHYDROXYPHENYL)-2-(4-NITROPHENYL)ETHANONE 2.0586 0.3145 NA NA
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATE 1.2016 1.0795 NA NA
1-(2-FURFURYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID 1.5461 0.8268 NA NA
1-[2-HYDROXY-4-(3-HYDROXY-5-METHYL-PHENOXY)-6-METHYL-PHENYL]-3-METHYL-BUTANE-2,3-DIOL 2.2631 0.1113 NA NA
12-HYDROXYJASMONIC ACID 1.4043 0.9698 NA NA
1-(2-HYDROXYPHENYL)-2-PYRROLIDONE 0.8998 1.4745 NA NA
12-KETODEOXYCHOLIC ACID 2.1881 0.1868 NA NA
1-(2-PYRIDYL)PYRAZOLE-4-CARBOXYLIC ACID 1.2094 1.1646 NA NA
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ACID 1.5304 0.8415 NA NA
1,3,4,5-TETRAHYDROTHIOPYRAN[4,3-B]INDOLE-8-CARBOXYLIC ACID 0.4567 1.9138 NA NA
1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-1,2-DIHYDRONAPHTHALENE-2,3-DICARBOXYLIC ACID 2.2071 0.1634 NA NA
1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTAN-3-ONE 1.3064 1.0680 NA NA
1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONE 0.1087 2.2662 NA NA
1,3,5-TRIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACID 0.0216 2.3501 NA NA
1-[4-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXYOXAN-2-YL]OXY-2,6-DIHYDROXYPHENYL]-3-(4-HYDROXYPHENYL)PROPAN-1-ONE 0.8353 1.5353 NA NA
14-HYDROXY-17-(5-KETO-2H-FURAN-3-YL)-3-[4-METHOXY-6-METHYL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-13-METHYL-1,2,3,4,5,6,7,8,9,11,12,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHRENE-10-CARBALDEHYDE 1.8986 0.4763 NA NA
1-[4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL]ETHANONE 1.5471 0.8252 NA NA
1-(4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)-5-METHYL-PYRIMIDINE-2,4-QUINONE 2.2676 0.1072 NA NA
15,17-DIHYDROXY-9-METHYL-4,10-DIOXATRICYCLO[11.4.0.03,5]HEPTADECA-1(13),14,16-TRIENE-2,11-QUINONE 0.1563 2.2184 NA NA
[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)(METHYL)AMINO]METHANESULFONIC ACID 0.5714 1.8028 NA NA
1,7,8-TRIHYDROXY-3-METHYL-2,3,4,7-TETRAHYDRO-1H-BENZ[A]ANTHRACEN-12-ONE 2.3368 0.0381 NA NA
1,7-BIS(3,4-DIHYDROXYPHENYL)-6-HYDROXY-HEPTAN-3-ONE 2.3444 0.0304 NA NA
1,7-BIS(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONE 0.1934 2.1814 NA NA
1,7-BIS(4-HYDROXYPHENYL)HEPTANE-3,5-DIOL 2.1671 0.2074 NA NA
1,7-DIMETHYLURIC ACID 1.7292 0.6457 NA NA
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE 0.5861 1.7888 NA NA
1-ACETYLISONIPECOTIC ACID 1.6275 0.7356 NA NA
1-(ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)-BETA-D-GLUCOPYRANURONIC ACID 1.9625 0.4088 NA NA
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACID 1.5232 0.8157 NA NA
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE 0.3097 2.0653 NA NA
1-FORMYLPROLINE 0.8941 1.3433 NA NA
1-HEXADECANOYL-2-(9Z,12Z-OCTADECADIENOYL)-3-O-BETA-D-GALACTOSYL-SN-GLYCEROL 1.7968 0.5771 NA NA
1-HEXADECANOYL-2-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE 1.2614 1.1026 NA NA
1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE 1.9136 0.4586 NA NA
(1-HYDROXYCYCLOPENTYL)(PHENYL)ACETIC ACID 0.5470 1.8120 NA NA
1-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID 0.6291 1.7449 NA NA
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID 1.2495 1.1251 NA NA
1-METHYLURIC ACID 0.9161 1.4584 NA NA
1-METHYLXANTHINE 0.9566 1.4183 NA NA
1-NONADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 1.4238 0.9462 NA NA
1-OXIDOPYRIDIN-1-IUM-2-CARBOXYLIC ACID 2.2195 0.1475 NA NA
(1R,2R)-3-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANE-1,2-DICARBOXYLIC ACID 1.0940 1.2767 NA NA
(1R,2S)-2-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANECARBOXYLIC ACID 0.7963 1.5378 NA NA
(1R,3R,4S,5R)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACID 0.3101 2.0640 NA NA
(1R,3R,4S,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,5-DIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACID 0.3426 2.0311 NA NA
(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-AMINO-3,5-DIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-1,3,26-TRIHYDROXY-12-METHYL-10-OXO-6,11,28-TRIOXATRICYCLO[22.3.1.05,7]OCTACOSA-8,14,16,18,20-PENTAENE-25-CARBOXYLIC ACID 1.7628 0.5933 NA NA
(1R,9S,10S)-3,4-DIHYDROXY-5-ISOPROPYL-11,11-DIMETHYL-16-OXATETRACYCLO[7.5.2.01,10.02,7]HEXADECA-2,4,6-TRIENE-8,15-QUINONE 2.1037 0.2707 NA NA
(1R,9S)-3,4,8-TRIHYDROXY-5-ISOPROPYL-11,11-DIMETHYL-16-OXATETRACYCLO[7.5.2.01,10.02,7]HEXADECA-2,4,6-TRIEN-15-ONE 2.2651 0.1098 NA NA
(1S)-1,5-ANHYDRO-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-6-YL]-D-GLUCITOL 0.0393 2.3356 NA NA
(1S)-1,5-ANHYDRO-2-O-(ALPHA-L-RHAMNOPYRANOSYL)-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL]-D-GLUCITOL 0.0146 2.3595 NA NA
(1S,2R,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYCYCLOHEXANE-1,2,3,4,5-PENTOL 0.2667 2.1058 NA NA
[(1S,2S,4S,5S,6R,10S)-2-(HYDROXYMETHYL)-10-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-3,9-DIOXATRICYCLO[4.4.0.02,4]DEC-7-EN-5-YL] 4-OXIDANYLBENZOATE 1.8528 0.5131 NA NA
(1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID 1.6089 0.7649 NA NA
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-[(2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYLOXY]CYCLOHEXANECARBOXYLIC ACID 0.0320 2.3399 NA NA
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,5-DIHYDROXY-4-[(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACID 0.0218 2.3529 NA NA
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEXANECARBOXYLIC ACID 0.1144 2.2512 NA NA
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}-1,3,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID 0.3204 2.0527 NA NA
(1S,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID 1.0393 1.3345 NA NA
20-HDOHE 1.3422 1.0326 NA NA
2-[(10Z)-HEPTADEC-10-EN-1-YL]-6-HYDROXYBENZOIC ACID 0.5419 1.8320 NA NA
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]INDOL-3-YL]ACETIC ACID 0.4210 1.9497 NA NA
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACID 0.7625 1.6124 NA NA
2-(16,18-DIKETO-17-AZAPENTACYCLO[6.6.5.02,7.09,14.015,19]NONADECA-2,4,6,9,11,13-HEXAEN-17-YL)ACETIC ACID 0.2953 2.0785 NA NA
2-[2-[1-[2-[4-[4,5-DIHYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-1,2,4A,5-TETRAMETHYL-2,3,4,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]ETHYL]-1-METHYL-ALLYLOXY]-5-HYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-4-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL 0.1140 2.2598 NA NA
2-[2-[2-HYDROXY-5-[(E)-3-HYDROXYPROP-1-ENYL]-3-METHOXY-PHENYL]-3-(4-HYDROXY-3-METHOXY-PHENYL)PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL 0.5271 1.8455 NA NA
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHANOIC ACID 1.5718 0.6067 NA NA
2,2,3,3-TETRAFLUOROSUCCINIC ACID 1.0580 1.2439 NA NA
2-[2-(4-SULFAMOYLPHENOXY)ETHYLTHIO]ACETIC ACID 1.2272 0.7417 NA NA
2-(2,5-DIKETOTETRAHYDROFURAN-3-YL)ACETIC ACID 0.9274 1.4451 NA NA
2-[(2-ACETAMIDOACETYL)AMINO]ACETIC ACID 0.3015 2.0464 NA NA
2-(2-ALLYLPHENOXY)ACETIC ACID 1.3293 1.0400 NA NA
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE 2.2516 0.1171 NA NA
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE 1.3363 1.0301 NA NA
2,2-DIMETHYLGLUTARIC ACID 1.4087 0.8086 NA NA
2-(2-ETHYLBUTANOYLAMINO)-4,5-DIMETHOXY-BENZOIC ACID 2.0749 0.2919 NA NA
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID 2.0551 0.3196 NA NA
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-3-METHYL-BUTYRIC ACID 0.9153 1.4496 NA NA
2-[(2-HYDROXYANILINO)METHYLENE]MALONIC ACID DIETHYL ESTER 1.0300 0.9371 NA NA
2-(2-KETO-4-METHYL-1-QUINOLYL)ACETIC ACID 1.3442 1.0166 NA NA
2-(2-KETOMORPHOLINO)ACETIC ACID 1.1781 1.1919 NA NA
2-[(2-PHENYLACETYL)AMINO]-5-UREIDO-VALERIC ACID 0.3889 1.9856 NA NA
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOL 0.5709 1.8036 NA NA
(2-{[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(HEXADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 0.5388 1.8350 NA NA
(2-{[(2R)-2-HYDROXY-3-[(11Z)-ICOS-11-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.7123 0.6622 NA NA
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.6649 0.7098 NA NA
(2-{[(2R)-2-HYDROXY-3-[(8Z,11Z,14Z,17Z)-ICOSA-8,11,14,17-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 0.5912 1.7824 NA NA
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 2.0861 0.2888 NA NA
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.7542 0.6206 NA NA
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.5886 0.7856 NA NA
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.5592 0.8132 NA NA
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.4031 0.9677 NA NA
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 0.6308 1.7440 NA NA
(2-{[(2R)-2-HYDROXY-3-(TETRACOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 2.0701 0.2992 NA NA
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.6328 0.7421 NA NA
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-2-HYDROXYPROPYL PHOSPHONO]OXY}ETHYL)TRIMETHYLAZANIUM 0.5020 1.8696 NA NA
(2-{[(2R)-3-[(9Z)-HEXADEC-9-EN-1-YLOXY]-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.8140 0.5428 NA NA
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.1153 1.2595 NA NA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 0.9729 1.4000 NA NA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.0974 1.2624 NA NA
(2-{[(2R)-3-(HEXADECYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM 1.7281 0.6434 NA NA
2-[(2S,3E,4S)-5-CARBOMETHOXY-3-ETHYLIDENE-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4H-PYRAN-4-YL]ACETIC ACID 0.2381 2.1358 NA NA
2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYBENZOIC ACID METHYL ESTER 0.0395 2.3345 NA NA
2-{[(2Z)-3-(3,5-DIMETHOXY-4-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)PROP-2-EN-1-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL 0.0937 2.2788 NA NA
2-[3-[3-HYDROXY-4-(4-HYDROXYPHENYL)-2,5-DIMETHOXY-PHENYL]-5-KETO-2H-FURAN-2-YL]ACETIC ACID 1.8036 0.5714 NA NA
2-[3-[4-[2-HYDROXY-2-(4-HYDROXY-3-METHOXY-PHENYL)-1-METHYLOL-ETHOXY]-3-METHOXY-PHENYL]PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL 1.1004 1.2738 NA NA
2-({[3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OXY}METHYL)-6-{[(2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}OXANE-3,4,5-TRIOL 1.2558 1.1184 NA NA
2-[(3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-6-(5-HYDROXY-1,7,7-TRIMETHYL-NORBORNAN-2-YL)OXY-TETRAHYDROPYRAN-3,4,5-TRIOL 1.0142 1.3594 NA NA
2-[(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-6-[1-METHYL-1-(4-METHYLCYCLOHEX-3-EN-1-YL)ETHOXY]TETRAHYDROPYRAN-3,4,5-TRIOL 1.8851 0.4896 NA NA
2-[(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-6-(2-METHYLBUTOXY)TETRAHYDROPYRAN-3,4,5-TRIOL 0.0845 2.2903 NA NA
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4H-CHROMEN-4-ONE 0.0234 2.3512 NA NA
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-CHROMEN-4-ONE 1.1102 1.2644 NA NA
2-(3,4-DIMETHOXYPHENOXY)-6-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOL 1.2340 1.1393 NA NA
2,3-DIHYDROXY-2-METHYLBUTANOIC ACID 1.3500 1.0057 NA NA
2,3-DIHYDROXY-3-METHYLBUTANOIC ACID 0.3253 2.0493 NA NA
2,3-DIKETOINDOLINE-5-CARBOXYLIC ACID 1.6543 0.7203 NA NA
2,3-DIMETHOXY-5-SULFAMOYL-BENZOIC ACID 1.4289 0.9461 NA NA
2,3-DIVANILLYLBUTANE-1,4-DIOL 2.1227 0.2522 NA NA
2-(3-KETO-4H-1,4-BENZOXAZIN-2-YL)ACETIC ACID 1.2164 1.1585 NA NA
2-[3-METHOXY-4-(SULFOOXY)PHENYL]ACETIC ACID 0.5416 1.8282 NA NA
2-(3-METHYLBENZYL)SUCCINIC ACID 1.1035 1.1999 NA NA
2,4,6-TRIHYDROXYBENZOIC ACID 0.2773 2.0973 NA NA
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VALERIC ACID 1.3418 0.9773 NA NA
2,4-BIS(4-HYDROXYPHENYL)CYCLOBUTANE-1,3-DICARBOXYLIC ACID 1.8425 0.5209 NA NA
2-(4-BROMO-2-METHYL-PHENOXY)ACETIC ACID 0.7072 1.6676 NA NA
2-(4-BROMOPHENOXY)ACETIC ACID 0.6814 1.6934 NA NA
2,4-DIHYDROXY-3,5,6-TRIMETHYLBENZOIC ACID 1.0116 1.3568 NA NA
2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID 0.1560 2.2187 NA NA
2,4-DIHYDROXYBENZOPHENONE 1.6542 0.7072 NA NA
2-(4-HYDROXYPHENYL)-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-ACETONITRILE 0.8581 1.5157 NA NA
2-(4-HYDROXYPHENYL)-6-[(E)-2-(4-HYDROXYPHENYL)VINYL]-2,3-DIHYDROPYRAN-4-ONE 0.2125 2.1624 NA NA
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3H-BENZIMIDAZOL-5-OL 0.5496 1.8247 NA NA
2-[4-METHYL-7,8-BIS(OXIDANYL)-2-OXIDANYLIDENE-CHROMEN-3-YL]ETHANOIC ACID 2.0275 0.3395 NA NA
2-[5-[3,4-DIHYDROXY-6-METHYL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-2-(8-HYDROXY-5^,7,9,13-TETRAMETHYL-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL)OXY-6-METHYL-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL 0.9072 1.4672 NA NA
(2,5-DIOXOIMIDAZOLIDIN-4-YL)UREA 1.6990 0.6758 NA NA
2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]AMINO]PROPIONIC ACID 0.9217 1.4530 NA NA
2-[[6-(4-ALLYLPHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL 0.7824 1.5920 NA NA
2-(6,7-DIHYDROXY-1-KETO-4-METHYL-PHTHALAN-5-YL)OXY-4-HYDROXY-3-(METHOXYMETHYL)-6-METHYL-BENZOIC ACID METHYL ESTER 2.2807 0.0938 NA NA
2-(6-HYDROXY-2-KETO-3,8-DIMETHYL-4,5,6,7,8,8A-HEXAHYDRO-1H-AZULEN-5-YL)ACRYLIC ACID 1.4849 0.8870 NA NA
2-(6-HYDROXYHEXYL)-3-METHYLENE-SUCCINIC ACID 1.3449 1.0050 NA NA
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3,5-DIMETHYL-4-PYRIDONE 0.9871 1.3874 NA NA
2,7-ANHYDRO-BETA-D-ALTRO-HEPT-2-ULOPYRANOSE 0.0463 2.3287 NA NA
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACETIC ACID 1.8517 0.5229 NA NA
2-ACETAMIDO-2-DEOXY-D-GALACTITOL 0.3920 1.9829 NA NA
2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOIC ACID 1.3874 0.9875 NA NA
2-ACETAMIDOPROPIONIC ACID 1.0440 1.3261 NA NA
2-ACRYLAMIDOSUCCINIC ACID 1.0408 1.3305 NA NA
2-AMINO-3-HYDROXYPROPANOIC ACID 1.9492 0.4242 NA NA
2-AMINO-3-METHOXYBENZOIC ACID 1.7787 0.5694 NA NA
2-AMINO-4-(3-CARBOXYPROPANOYLOXY)BUTYRIC ACID 1.4773 0.8927 NA NA
2-AMINO-5-CHLORO-4-METHYL-BESYLIC ACID 0.3185 2.0557 NA NA
2-AMINOBENZENE-1,4-DISULFONIC ACID 1.1555 1.2195 NA NA
2-AMINOBUTANEDIOIC ACID 2.1100 0.2628 NA NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID 2.3102 0.0647 NA NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID 2.0398 0.3352 NA NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID 1.3387 1.0362 NA NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACID 1.3952 0.9791 NA NA
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-HYDROXYPROPOXY]PHOSPHINIC ACID 1.3749 0.9989 NA NA
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID 1.7739 0.6009 NA NA
2-AMINOHEPTANEDIOIC ACID 0.5226 1.8437 NA NA
2-BENZOYLBENZOIC ACID 0.0460 2.3287 NA NA
2-BENZYLBUTANEDIOIC ACID 2.2079 0.1642 NA NA
2-BROMO-5-FLUORO-ISONICOTINIC ACID 2.0599 0.3125 NA NA
2-[CARBOXYMETHYL(2-HYDROXYETHYL)AMINO]ACETIC ACID 0.6142 1.7588 NA NA
2-[(CARBOXYMETHYL)AMINO]ACETIC ACID 1.3033 1.0503 NA NA
2-[(C-HYDROXYCARBONIMIDOYL)(METHYL)AMINO]ACETIC ACID 0.9039 1.4685 NA NA
2-DEOXY-RIBOSE 1.2942 1.0605 NA NA
(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-METHOXYPHENYL)ETHYL]PROP-2-ENAMIDE 0.2688 2.0984 NA NA
(2E)-3-(3-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACID 0.2021 2.1729 NA NA
(2E)-3-{4-[(1H-IMIDAZOL-1-YL)METHYL]PHENYL}PROP-2-ENOIC ACID 2.1596 0.2120 NA NA
(2E)-3-[4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL]PROP-2-ENOIC ACID 0.9066 1.4557 NA NA
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]PROP-2-ENAMIDE 0.4795 1.8948 NA NA
(2E,4E)-5-(3,8-DIHYDROXY-7-KETO-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCTAN-8-YL)-3-METHYL-PENTA-2,4-DIENOIC ACID 0.4967 1.8724 NA NA
(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMAN-2-YL]-2,6,10-TRIMETHYL-TRIDECA-2,6,10-TRIENOIC ACID 1.8039 0.5708 NA NA
(2E,6Z)-2,6-DIVANILLYLIDENECYCLOHEXANONE 2.3057 0.0692 NA NA
2-(ETHYLTHIO)-6-METHOXY-1H-BENZIMIDAZOLE 0.0482 2.3235 NA NA
2-FORMAMIDO-4-(METHYLTHIO)BUTYRIC ACID 0.9468 1.4280 NA NA
2-FUROYLGLYCINE 2.2144 0.1391 NA NA
2H-BENZOTRIAZOL-4-OL 0.5062 1.8686 NA NA
(2-HEXADECANOYLOXY-3-TETRADECANOYLOXY-PROPYL) 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE 1.2147 1.1559 NA NA
2-HEXOXY-6-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOL 0.1337 2.2404 NA NA
2-HYDOXYBUTYRIC ACID 1.0188 1.3532 NA NA
2-HYDROXY-2-METHYL-BUTYRIC ACID 0.4868 1.6663 NA NA
2-HYDROXY-2-(PHENYLFORMAMIDO)ACETIC ACID 1.9199 0.4279 NA NA
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID 0.0975 2.2710 NA NA
2-HYDROXY-3-{[3,4,5-TRIHYDROXY-6-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL]OXY}PROPYL (9Z,12Z)-OCTADECA-9,12-DIENOATE 0.4123 1.9594 NA NA
2-HYDROXY-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE 0.0599 2.3111 NA NA
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID 1.0970 1.2773 NA NA
2-HYDROXY-3-METHYLBUTANOIC ACID 1.5058 0.8465 NA NA
2-HYDROXY-3-PHENYLPROPANOIC ACID 0.2704 2.1042 NA NA
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID 0.0978 2.2748 NA NA
2-HYDROXY-5-METHYL-BENZOIC ACID 1.9602 0.4146 NA NA
2-HYDROXY-6-[(8Z,11Z)-PENTADECA-8,11,14-TRIENYL]BENZOIC ACID 1.2953 1.0796 NA NA
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID 2.3637 0.0100 NA NA
2-HYDROXYBUTANEDIOIC ACID 1.1377 1.2361 NA NA
2-HYDROXYISOBUTYRIC ACID 0.8948 1.4605 NA NA
2-HYDROXYPENTANEDIOIC ACID 0.2425 2.1316 NA NA
2-HYDROXYVALERIC ACID 1.0192 1.3547 NA NA
2-(ISOBUTYLAMINO)-2-KETO-ACETIC ACID 0.5024 1.8659 NA NA
2-ISOPROPYLMALIC ACID 0.2283 2.1228 NA NA
2-KETO-2-(METHYLAMINO)ACETIC ACID 0.2665 2.0765 NA NA
2-KETO-5-METHYL-OXAZOLIDINE-4-CARBOXYLIC ACID 1.3252 1.0452 NA NA
2-KETO-5-SULFO-1H-PYRIDINE-3-CARBOXYLIC ACID 0.2983 2.0756 NA NA
2-KETO-6-METHYL-1H-PYRIDINE-4-CARBOXYLIC ACID 1.6986 0.6277 NA NA
2-KETOGLUTARIC ACID DIETHYL ESTER 1.5960 0.6864 NA NA
2-LACTAMIDO-3-METHYL-BUTYRIC ACID METHYL ESTER 1.7491 0.6257 NA NA
2-METHOXYBENZENE-1,4-DIOL 1.5343 0.8407 NA NA
2-METHYL-3-HYDROXYBUTYRIC ACID 1.9722 0.3980 NA NA
2-METHYL-4-NITRO-BENZOIC ACID 1.5652 0.7867 NA NA
2-METHYL-6-{[3,4,5-TRIHYDROXY-6-(2-PHENYLETHOXY)OXAN-2-YL]METHOXY}OXANE-3,4,5-TRIOL 1.3113 1.0616 NA NA
2-METHYLBUTYRIC ACID [(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL] ESTER 1.1642 1.2098 NA NA
2-METHYLBUTYRIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHYL ESTER 0.4146 1.9597 NA NA
2-METHYL-GLUTARIC ACID 2.0384 0.3018 NA NA
2-METHYLOL-6-[(E)-1-METHYL-3-(1,2,4-TRIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEXYL)ALLYLOXY]TETRAHYDROPYRAN-3,4,5-TRIOL 0.1372 2.2328 NA NA
2-(OCT-1-EN-3-YLOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOL 0.0469 2.3261 NA NA
2^-O-METHYLURIDINE 2.1496 0.2246 NA NA
2-OXO-4-METHYLTHIOBUTANOIC ACID 1.2428 1.1005 NA NA
(2R)-2-[[(2S)-2-AMINO-3-METHYL-BUTANOYL]AMINO]OXYSUCCINIC ACID 2.0737 0.3011 NA NA
(2R)-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]PENTANEDIOIC ACID 1.7009 0.6740 NA NA
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(METHYLAMINO)ETHOXY]PHOSPHINIC ACID 0.0773 2.2974 NA NA
(2R)-2,4-BIS(3,4,5-TRIMETHOXYPHENYL)-1,3-DIOXOLANE 0.4235 1.9500 NA NA
(2R)-2-ACETAMIDO-3-[[(2R)-2-ACETAMIDO-2-CARBOXY-ETHYL]DISULFANYL]PROPIONIC ACID 2.1486 0.2215 NA NA
(2R)-2-ACETAMIDOHEXANOIC ACID 0.6810 1.5868 NA NA
(2R)-2-ACETOXY-2-PHENYL-ACETIC ACID 1.2738 1.0554 NA NA
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFANYL]PROPANOIC ACID 0.0041 2.3709 NA NA
(2R)-2-HYDROXY-2-METHYLBUTANEDIOIC ACID 1.2407 0.8010 NA NA
[(2~{R})-3-CETYLOXY-2-ETHOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE 1.3089 1.0629 NA NA
(2R)-3-HYDROXY-2-(SALICYLOYLAMINO)PROPIONIC ACID 2.2671 0.1077 NA NA
(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL 3,4,5-TRIHYDROXYBENZOATE 0.0496 2.3217 NA NA
(2R,3R,3AR,6S,6AR)-2,3,6-TRIHYDROXY-3,3A,6,6A-TETRAHYDRO-2H-FURO[3,2-B]FURAN-5-ONE 2.0817 0.2928 NA NA
(2R,3R,4R)-2,3,5-TRIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-VALERALDEHYDE 0.9054 1.4589 NA NA
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANAL 0.5216 1.7929 NA NA
(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYHEXANE-1,2,3,5,6-PENTOL 0.3187 2.0556 NA NA
(2R,3R,4R,5R,6S)-2-[(4S,6R,7S,8R,9S,13R,14R,16R)-14-[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-7,9,13-TRIMETHYL-5^-METHYLENE-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL 0.3997 1.9724 NA NA
(2R,3R,4S,5S)-2,3,4,5-TETRAHYDROXYHEXANAL 1.1047 1.2660 NA NA
(2R,3R,4S,5S,6R)-2-[(2E)-6-HYDROXY-2,6-DIMETHYL-OCTA-2,7-DIENOXY]-6-[[(2S,3R,4S,5S)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOL 0.7639 1.6097 NA NA
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-[(2R,3S,4R,5R,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXYOXAN-3-YL]OXY-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL 0.0696 2.3002 NA NA
(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE 0.6962 1.6784 NA NA
(2R,3S)-2-HYDROXY-2-(4-HYDROXYBENZYL)-3-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-SUCCINIC ACID 1.6201 0.7523 NA NA
(2R,3S,4R,5R)-2,3,4,5,6,7-HEXAHYDROXYENANTHIC ACID 0.1502 2.2139 NA NA
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-HEXANAL 0.0378 2.3370 NA NA
(2R,3S,4R,5R)-3,4,5,6-TETRAHYDROXY-2-[[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-2-OXANYL]OXY]HEXANAL 0.6466 1.7283 NA NA
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOL 1.1456 1.2274 NA NA
(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYHEXANAL 0.6871 1.6863 NA NA
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-PHENETHOXY-TETRAHYDROPYRAN-3,4,5-TRIOL 0.0631 2.3117 NA NA
(2R,3S,4S,5R,6R)-2-METHYLOL-6-[[(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(1R)-4-(3-HYDROXYBUTYL)-3,5,5-TRIMETHYL-CYCLOHEX-3-EN-1-YL]OXY-TETRAHYDROPYRAN-2-YL]METHOXY]TETRAHYDROPYRAN-3,4,5-TRIOL 1.8223 0.5426 NA NA
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-2-METHYLOL-6-PHENETHOXY-TETRAHYDROPYRAN-3,4-DIOL 0.0830 2.2913 NA NA
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-6-[2-(4-HYDROXYPHENYL)ETHOXY]-2-METHYLOL-TETRAHYDROPYRAN-3,4-DIOL 0.0070 2.3679 NA NA
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-(1H-INDOL-3-YLOXY)TETRAHYDROPYRAN-3,4,5-TRIOL 0.2860 2.0884 NA NA
(2R,3S,4S,5R,6S)-2-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]-6-(3,4,5-TRIMETHOXYPHENOXY)TETRAHYDROPYRAN-3,4,5-TRIOL 0.0252 2.3490 NA NA
[(2R,3S)-5-(2-AMINO-6-KETO-1H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE 1.3122 1.0606 NA NA
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-CARBOXYPYRROLIDINO]-3-KETO-2-METHYL-PROPYL]DISULFANYL]-2-METHYL-PROPANOYL]PROLINE 2.2927 0.0716 NA NA
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-PHENYL-BUTAN-2-YL]AMINO]HEXANOYL]PYRROLIDINE-2-CARBOXYLIC ACID 0.7864 1.5886 NA NA
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACID 0.7068 1.5740 NA NA
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE 1.4145 0.9596 NA NA
(2S)-2-[[2-(GLYCYLAMINO)ACETYL]AMINO]-3-METHYL-BUTYRIC ACID 1.6619 0.7117 NA NA
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]-3-PHENYL-PROPIONIC ACID 1.2943 1.0798 NA NA
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID 0.2894 2.0810 NA NA
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC ACID 0.6052 1.7685 NA NA
(2S)-2-{[(2S)-2-AMINO-1-HYDROXYPROPYLIDENE]AMINO}-4-(C-HYDROXYCARBONIMIDOYL)BUTANOIC ACID 2.0735 0.3010 NA NA
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]PROPANOIC ACID 2.1648 0.2094 NA NA
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ACID 2.0439 0.3308 NA NA
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]BUTANEDIOIC ACID 1.5111 0.8595 NA NA
(2S)-2-[[(2S)-2-AMINO-4-METHYL-PENTANOYL]AMINO]SUCCINIC ACID 0.4436 1.9273 NA NA
(2S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-METHYL-VALERIC ACID 0.7791 1.5958 NA NA
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TERT-BUTYL ESTER 2.1600 0.2149 NA NA
(2S)-2-AMINO-4-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}BUTANOIC ACID 1.9546 0.4166 NA NA
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE 1.2845 1.0896 NA NA
{[(2S)-2-AZANIUMYL-4-METHYLPENTANOYL]AMINO}ACETATE 2.2697 0.1038 NA NA
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID 0.9610 1.4111 NA NA
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYL]AMINO]PROPIONIC ACID 1.1886 1.1861 NA NA
(2S)-3-(4-HYDROXYPHENYL)-2-[[(E)-3-(4-HYDROXYPHENYL)ACRYLOYL]AMINO]PROPIONIC ACID 0.0446 2.3299 NA NA
(2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)PROPANE-1,2-DIYL DIHEXADECANOATE 1.7369 0.6375 NA NA
(2S,3R)-3-HYDROXYPYRROLIDINIUM-2-CARBOXYLATE 1.3574 1.0103 NA NA
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-2-PHENETHOXY-TETRAHYDROPYRAN-3-YL]OXYTETRAHYDROPYRAN-3,4,5-TRIOL 0.0596 2.3151 NA NA
(2S,3R,4S,5R)-OXANE-2,3,4,5-TETROL 1.5247 0.7761 NA NA
(2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-CHROMENE-3,5,7-TRIOL 1.2842 1.0828 NA NA
(2S,3S,4AS)-2,3,7-TRIHYDROXY-9-METHOXY-4A-METHYL-3,4-DIHYDRO-2H-BENZO[C]CHROMEN-6-ONE 1.0868 1.2876 NA NA
(2S,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANAL 0.7442 1.6269 NA NA
(2S,3S,4R,5S,6S)-2-[[(2R,3R,4R,5R)-5,6-DIHYDROXY-4-[[(2S,3R,4S,5S,6R)-5-HYDROXY-6-(HYDROXYMETHYL)-4-[[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-3-[[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-2-OXANYL]OXY]-2-OXANYL]OXY]-2-(HYDROXYMETHYL)-3-OXANYL]OXY]-6-METHYLOXANE-3,4,5-TRIOL 1.6245 0.7490 NA NA
(2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-{[(2R,3S,4R,5R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}OXAN-4-YL]OXY}-6-METHYLOXANE-3,4,5-TRIOL 0.3715 1.9357 NA NA
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S,10S,13S,14S)-17-KETO-10,13-DIMETHYL-1-METHYLENE-3,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-2H-CYCLOPENTA[A]PHENANTHREN-3-YL]OXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACID 0.2326 2.1422 NA NA
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6AR,6BS,8R,8AR,12AS,14BR)-4-CARBOXY-8A-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-[[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-2-OXANYL]OXY]-5-HYDROXY-6-METHYL-4-[(E)-1-OXO-3-PHENYLPROP-2-ENOXY]-2-OXANYL]OXY-OXOMETHYL]-2,8-DIHYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-3,5-DIHYDROXY-4-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXY-2-OXANYL]OXY]-2-OXANECARBOXYLIC ACID 1.3228 1.0512 NA NA
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6AR,6BS,8AS,12AS,14BR)-8A-[(2S,3R,4S,5R,6R)-5-ACETOXY-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-DIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-3-HYDROXY-6-METHYL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYCARBONYL-4-FORMYL-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-3-HYDROXY-5-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID 0.2622 1.9951 NA NA
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(9-HYDROXY-8-KETO-7-METHOXY-[1,3]DIOXOLO[4,5-G]CHROMEN-6-YL)PHENOXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACID 0.3114 2.0541 NA NA
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-HYDROXY-5-PHENYL-3H-1,4-BENZODIAZEPIN-3-YL)OXY]-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID 0.2630 2.1089 NA NA
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PHENYL-3H-1,4-BENZODIAZEPIN-3-YL)OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID 0.0212 2.3500 NA NA
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYDROXY-2-SULFANYLTETRAHYDRO-2H,4H-2LAMBDA(5)-FURO[3,2-D][1,3,2]DIOXAPHOSPHININ-2-ONE 1.6669 0.7046 NA NA
(2S,4S,5R,6R)-5-ACETAMIDO-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5-ACETAMIDO-1,2-DIHYDROXY-6-OXO-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-3-YL]OXY}-3,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID 0.0641 2.3108 NA NA
(2S)-5-GUANIDINO-2-(LAUROYLAMINO)VALERIC ACID 0.4404 1.9340 NA NA
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)CHROMAN-4-ONE 0.1712 2.2037 NA NA
2-SUCCINIMIDOACETIC ACID 0.2179 2.1486 NA NA
2-SULFANYLETHANE-1-SULFONIC ACID 1.8070 0.5668 NA NA
(2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)PROP-2-ENOIC ACID 0.1149 2.2484 NA NA
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYLPENTA-2,4-DIENOIC ACID 0.3166 2.0568 NA NA
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCT-8-YL]-3-METHYLPENTA-2,4-DIENOIC ACID 0.1235 2.2494 NA NA
(2Z)-4-KETO-3-METHOXY-5-METHYL-HEXA-2,5-DIENOIC ACID 1.3746 0.9826 NA NA
3-(1H-INDOL-3-YL)-2-[(5-OXOPYRROLIDINE-2-CARBONYL)AMINO]PROPANOIC ACID 0.6655 1.7074 NA NA
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID 0.1877 2.1873 NA NA
3-(2,4-DIMETHOXYANILINO)-3-KETO-PROPIONIC ACID 1.6994 0.6739 NA NA
3-(2,6-DIHYDROXY-4-METHYLPHENOXY)-5-METHYLBENZENE-1,2-DIOL 0.2541 2.1201 NA NA
3-(2-HYDROXY-4-METHOXY-6-METHYL-PHENOXY)-5-METHYL-PYROCATECHOL 2.0992 0.2643 NA NA
3-(2-HYDROXYPHENYL)PROPANOIC ACID 0.2721 2.1025 NA NA
3-(2-KETOCYCLOHEXYL)PROPIONIC ACID 1.7089 0.6071 NA NA
3-[(2S,3R,4R,5R,6S)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMONE 0.0390 2.3329 NA NA
3-[(2S,4S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXYMETHYL]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMONE 0.0112 2.3550 NA NA
3-(3,4-DIETHOXYPHENYL)PROPIONIC ACID 1.7343 0.6406 NA NA
3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONE 0.0913 2.2836 NA NA
3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-8-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]CHROMONE 1.8637 0.5094 NA NA
3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID 0.3844 1.9902 NA NA
3-(3,4-DIMETHOXYPHENYL)-1-(2-HYDROXY-4,6-DIMETHOXY-PHENYL)PROPAN-1-ONE 1.5887 0.7822 NA NA
3,3-DIMETHYLPENTANEDIOIC ACID 1.5280 0.8063 NA NA
3-(3-HYDROXY-4-METHOXYPHENYL)PROPANOIC ACID 1.4375 0.9371 NA NA
3-(3-HYDROXYBENZOYL)OXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER 1.6804 0.6877 NA NA
3-(3-HYDROXYPHENYL)CARBONYLOXY-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE 1.7824 0.5890 NA NA
3-(3-HYDROXYPHENYL)PROPANOIC ACID 2.3593 0.0144 NA NA
3,3^-OXYBIS(5-METHYLBENZENE-1,2-DIOL) 0.1328 2.2421 NA NA
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACID 0.7255 1.6486 NA NA
3-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE 0.0088 2.3655 NA NA
3,4-BIS[(3-HYDROXYPHENYL)METHYL]OXOLAN-2-ONE 2.3716 0.0034 NA NA
3,4-DIHYDROXYBENZALDEHYDE 1.7332 0.6369 NA NA
3,4-DIHYDROXY-BENZOIC ACID METHYL ESTER 0.9813 1.3797 NA NA
3,4-DIHYDROXYPHENYLGLYCOL 1.2984 1.0654 NA NA
3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID 0.7202 1.6304 NA NA
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-QUINONE 0.1604 2.2144 NA NA
3-(4-HYDROXYPHENYL)-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]PHENYL]PROPAN-1-ONE 0.0312 2.3408 NA NA
3-(4-HYDROXYPHENYL)-3-KETO-PROPIONIC ACID 1.4378 0.9334 NA NA
3-(4-HYDROXYPHENYL)-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4H-CHROMEN-4-ONE 0.0562 2.3188 NA NA
3-[4-METHOXY-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PHENYL]PROPIONIC ACID 1.5556 0.8159 NA NA
3,5,7-TRIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-CHROMEN-4-ONE 0.4702 1.9035 NA NA
3,5-DIFLUORO-4-FORMYL-BENZOIC ACID 1.0127 1.3022 NA NA
3,5-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-4H-CHROMEN-4-ONE 0.3973 1.9773 NA NA
3-(5-FORMYL-2-HYDROXY-PHENOXY)-4-METHOXY-BENZOIC ACID 1.7826 0.5887 NA NA
3-(6-AMINO-9H-PURIN-9-YL)PROPANOIC ACID 1.6673 0.7048 NA NA
3,6-DIBENZYL-1,4-DIOXANE-2,5-QUINONE 0.2723 2.1025 NA NA
3,6-DIHYDROXY-4-METHOXY-2-METHYL-BENZOIC ACID [(6R,7R)-7-HYDROXY-8-KETO-7-METHYL-3-[(E)-PROP-1-ENYL]-5,6-DIHYDRO-1H-ISOCHROMEN-6-YL] ESTER 1.7177 0.6467 NA NA
3-(7-METHOXY-1,3-BENZODIOXOL-5-YL)PHENOL 0.0702 2.3046 NA NA
3-AMINO-2-(4-CHLOROPHENYL)-2-HYDROXY-1-PROPANESULFONIC ACID 1.2547 1.1203 NA NA
3-AMINOSALICYLIC ACID 1.7541 0.6198 NA NA
3-BROMO-2-CHLORO-6-FLUORO-BENZOIC ACID 2.0406 0.3328 NA NA
3-(CARBOXYMETHYL)BENZOIC ACID 0.6793 1.6897 NA NA
3-CHLORO-5-METHYL-PYROCATECHOL 0.0548 2.3185 NA NA
3-DEHYDROSHIKIMATE 2.1642 0.2084 NA NA
3-DEOXY-D-GLYCERO-D-GALACTO-2-NONULOSONIC ACID 0.4587 1.9083 NA NA
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE 1.3515 1.0224 NA NA
(3E,5E)-2-(4-KETO-4-METHOXY-BUTYL)NONA-3,5-DIENOIC ACID 1.5699 0.7510 NA NA
(3E)-HEX-3-ENEDIOIC ACID 1.7725 0.5708 NA NA
3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER 1.3515 1.0224 NA NA
3-FORMYL-2-HYDROXYBENZOIC ACID 1.9689 0.3950 NA NA
3-GUANIDINOPROPANOIC ACID 0.5615 1.8135 NA NA
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE 1.7541 0.6207 NA NA
3-HYDROXY-4-METHOXY-BENZALDEHYDE 1.3465 0.8939 NA NA
{3-HYDROXY-5-[(E)-2-(4-HYDROXYPHENYL)ETHENYL]PHENYL}OXIDANESULFONIC ACID 0.1872 2.1827 NA NA
3-HYDROXY-5-KETO-3-METHYL-5-[4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBENZYL]OXY-VALERIC ACID 0.4025 1.7885 NA NA
3-HYDROXYBENZOIC ACID ISOPROPYL ESTER 1.0955 1.2783 NA NA
3-HYDROXYMETHYLGLUTARIC ACID 0.4403 1.7876 NA NA
3-HYDROXYNAPHTHALENE-1-SULFONIC ACID 1.4285 0.9367 NA NA
3-HYDROXYPHENYLACETIC ACID 1.8345 0.5311 NA NA
3-ISOCHROMANONE 0.2669 2.1069 NA NA
3-ISOPROPYLCATECHOL 0.1293 2.2456 NA NA
3-KETO-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID 1.4292 0.9392 NA NA
3-(METHANESULFONAMIDO)BENZOIC ACID 0.1914 2.1380 NA NA
3-METHYL-2-OXOPENTANOIC ACID 1.3081 1.0535 NA NA
3-METHYL-6-(METHYLAMINO)-5-NITROSO-URACIL 0.9385 1.4365 NA NA
3-METHYL-HEXANEDIOIC ACID 1.9603 0.3470 NA NA
3-PHENYL-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]PHENYL]PROPAN-1-ONE 0.6137 1.7588 NA NA
3-PYROGLUTAMOYLTHIAZOLIDINE-4-CARBOXYLIC ACID 1.6133 0.7485 NA NA
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE 0.9920 1.3762 NA NA
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE 2.0528 0.2990 NA NA
(3R,4R)-3-AMINO-2-KETO-4-METHYL-AZETIDINE-1-SULFONIC ACID 0.9601 1.4148 NA NA
(3R,4R)-3-HYDROXY-3,4-DIVANILLYL-TETRAHYDROFURAN-2-ONE 0.2001 2.1730 NA NA
(3R,4S,5R)-3,4,5,6-TETRAKIS(OXIDANYL)-2-OXIDANYLIDENE-HEXANOIC ACID 0.8208 1.5541 NA NA
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TETRAHYDROXYBUTYL]TETRAHYDROFURAN-2-ONE 0.1701 2.2044 NA NA
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2,3,5-TRIOL 0.3079 2.0640 NA NA
(3S)-3-AMINO-3-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}PROPANOIC ACID 1.8368 0.5315 NA NA
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONE 0.3808 1.9935 NA NA
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONE 0.9790 1.3435 NA NA
(3S,4R,5R)-5-[(1S)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYOXOLAN-2-ONE 1.3233 1.0293 NA NA
(3S,4S,6AR,6BS,8R,8AR,12AS,14BR)-8-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICENE-4,8A-DICARBOXYLIC ACID 1.5066 0.8063 NA NA
(3S,6S)-3-(4-HYDROXYBENZYL)-6-METHYLOL-PIPERAZINE-2,5-QUINONE 0.7369 1.6378 NA NA
3-SUCCINIMIDOPROPIONIC ACID 1.5015 0.8610 NA NA
3-SUCCINOYLPYRIDINE 1.4902 0.7818 NA NA
3-SULFOBENZOIC ACID 1.1093 1.2655 NA NA
3-SULFOPROPANOIC ACID 0.7742 1.6006 NA NA
4-(1-BUTYLHEPTYL)BESYLIC ACID 1.4918 0.8116 NA NA
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]ANILINO]-4-KETO-BUTYRIC ACID 0.5039 1.8501 NA NA
4-(2,3-DIHYDRO-1H-PERIMIDIN-2-YL)PYROCATECHOL 1.8274 0.5273 NA NA
4-[(2-CARBOXYETHYL)AMINO]BUTANOIC ACID 1.7917 0.5751 NA NA
4-[(2-HYDROXY-1-NAPHTHYL)AZO]BESYLIC ACID 1.0255 1.3492 NA NA
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-CYCLOHEXYLIDENE]BUT-3-EN-2-ONE 0.2411 2.1336 NA NA
4-(2-HYDROXYETHYL)BENZENE-1,2-DIOL 1.4806 0.8230 NA NA
4-[[(2R,3R,4R,5S,6R)-3-ACETAMIDO-6-(HYDROXYMETHYL)-4,5-BIS(OXIDANYL)OXAN-2-YL]AMINO]-2-AZANYL-4-OXIDANYLIDENE-BUTANOIC ACID 1.8947 0.4797 NA NA
4-(3,4-DICARBOXYPHENOXY)PHTHALIC ACID 0.1147 2.2588 NA NA
4-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-2-NAPHTHOIC ACID 2.3693 0.0056 NA NA
4-[3,5-DIHYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PYROCATECHOL 2.0439 0.3310 NA NA
4-(3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)VALERIC ACID 0.5382 1.8368 NA NA
4-(3-HYDROXYPROPYL)-2-METHOXYPHENOL 0.4002 1.9740 NA NA
4-(3-METHYLOL-4-VANILLYL-TETRAHYDROFURAN-2-YL)PYROCATECHOL 0.4497 1.9252 NA NA
4-(4-AMINOPHENOXY)BENZOIC ACID 2.0374 0.3374 NA NA
4-(4-PROPAN-2-YL-1-PIPERAZINYL)PHENOL 1.2165 1.1585 NA NA
4-[5-(6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-PENTOXY]-4-KETO-BUTYRIC ACID 0.7407 1.6342 NA NA
4-[5-HYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PHENOL 2.2002 0.1745 NA NA
4-[6-(4-HYDROXYPHENYL)-1,2,4,5-TETRAZIN-3-YL]PHENOL 1.3534 0.9740 NA NA
4-(6-KETO-2-METHYL-PYRAN-3-YL)BUTYRIC ACID 0.4357 1.8963 NA NA
4,8-DIHYDROXY-3,7,8-TRIMETHYL-5,7-DIHYDROPYRANO[4,3-B]PYRAN-2-ONE 1.1936 1.1784 NA NA
4-ACETAMIDOBENZOIC ACID 1.7298 0.5925 NA NA
4-ACETAMIDOBUTANOIC ACID 0.4141 1.9538 NA NA
4-AMINOTETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID 0.4885 1.8850 NA NA
(4AR)-5-HYDROXY-7-ISOPROPYL-6-METHOXY-1,1-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-4A-CARBOXYLIC ACID 2.3248 0.0501 NA NA
4-BENZOYLOXYBENZOIC ACID 1.7529 0.5281 NA NA
4-(CHLOROMETHYL)-7-HYDROXY-8-METHYL-COUMARIN 2.3346 0.0397 NA NA
4-(CHLOROMETHYL)SPIRO[1,3-DIOXOLANE-2,3^-INDOLINE]-2^-ONE 2.0490 0.3255 NA NA
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID 1.3348 1.0399 NA NA
4-[CYCLOPROPYL(HYDROXY)METHYLENE]-3,5-DIKETO-CYCLOHEXANECARBOXYLIC ACID 0.6147 1.7573 NA NA
4-(DIFLUOROMETHOXY)BENZOIC ACID 2.2343 0.1362 NA NA
4-DODECYLBENZENE-1-SULFONIC ACID 2.3147 0.0560 NA NA
4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBUT-1-ENYL]-3,5,5-TRIMETHYL-CYCLOHEX-2-EN-1-ONE 0.1373 2.2363 NA NA
4-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-2,3-DIHYDROXY-2-METHYL-BUTYRIC ACID 0.5479 1.8267 NA NA
4-ETHYL-5-HYDROXY-3,5-DIMETHYL-FURAN-2-ONE 1.7053 0.6608 NA NA
4-FORMYL-2-HYDROXYBENZOIC ACID 1.2580 1.0946 NA NA
4-HYDROXY-3-[(4-HYDROXY-2-KETO-6-METHYL-PYRAN-3-YL)METHYL]-6-METHYL-PYRAN-2-ONE 1.1628 1.1885 NA NA
4-HYDROXY-3,5,5-TRIMETHYL-4-[(1E)-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]BUT-1-EN-1-YL]CYCLOHEX-2-EN-1-ONE 0.0123 2.3623 NA NA
4-HYDROXY-3-METHOXY-2-NITRO-BENZALDEHYDE 0.9750 1.1257 NA NA
4-HYDROXY-8-METHOXYQUINOLINE-2-CARBOXYLIC ACID 1.4405 0.9287 NA NA
4-HYDROXYBENZOIC ACID [(3R,3AS,4S,8AR)-3-HYDROXY-3-ISOPROPYL-6,8A-DIMETHYL-1,2,3A,4,5,8-HEXAHYDROAZULEN-4-YL] ESTER 0.1238 2.2512 NA NA
4-HYDROXYBENZOIC ACID [(3R,4S,8S,8AS)-3-HYDROXY-3-ISOPROPYL-6,8A-DIMETHYL-8-[(Z)-2-METHYLBUT-2-ENOYL]OXY-1,2,3A,4,5,8-HEXAHYDROAZULEN-4-YL] ESTER 1.6010 0.5106 NA NA
4-HYDROXYBENZOIC ACID [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-2-(4-HYDROXYPHENOXY)-6-METHYLOL-TETRAHYDROPYRAN-3-YL]OXY-3,4-DIHYDROXY-TETRAHYDROFURAN-3-YL]METHYL ESTER 0.1162 2.2572 NA NA
4-HYDROXYHIPPURIC ACID 0.7353 1.6282 NA NA
4-HYDROXY-L-GLUTAMIC ACID 1.8834 0.4883 NA NA
4-HYDROXYPHENYLPYRUVIC ACID 1.2037 1.1468 NA NA
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID 1.3505 1.0027 NA NA
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER 1.3252 1.0411 NA NA
4-KETO-1H-QUINOLINE-3-CARBOXYLIC ACID 0.2861 2.0854 NA NA
4-KETO-2-METHYL-1H-QUINOLINE-6-CARBOXYLIC ACID ETHYL ESTER 1.0284 1.3397 NA NA
4-KETODODECANEDIOIC ACID 1.3604 0.9882 NA NA
4-KETOPIMELIC ACID 0.4247 1.9406 NA NA
4-METHOXY-3-(METHYLSULFAMOYL)BENZOIC ACID 1.0805 0.8033 NA NA
4-METHOXYBENZOIC ACID 1.8486 0.5166 NA NA
4-METHYLPIPERIDINE-2,6-QUINONE 0.3593 2.0102 NA NA
4-O-P-COUMAROYLQUINIC ACID 0.1188 2.2472 NA NA
4-OXODECANEDIOIC ACID 1.4260 0.9443 NA NA
4-PYRIDOXIC ACID 1.0165 1.3522 NA NA
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-DIHYDROXY-2,15-DIMETHYL-5-OXOTETRACYCLO[8.7.0.0^{2,7}.0^{11,15}]HEPTADECAN-14-YL]PENTANOIC ACID 0.4959 1.8790 NA NA
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-7-KETO-10,13-DIMETHYL-1,2,3,4,5,6,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID 0.4074 1.9673 NA NA
(4S)-2BETA,3BETA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC ACID 1.8461 0.5284 NA NA
(4S)-4-AMINO-2,2-DIMETHYL-GLUTARIC ACID 0.3570 2.0175 NA NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}BUTANOIC ACID 1.6668 0.7045 NA NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CARBAMOYL}BUTANOIC ACID 0.7708 1.6034 NA NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}BUTANOIC ACID 1.6257 0.7485 NA NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUTANOIC ACID 2.2565 0.1147 NA NA
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID 0.6156 1.7575 NA NA
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLIDENE)AMINO]-2-OXONONANOIC ACID 1.9729 0.4020 NA NA
(4Z)-3,5,5-TRIMETHYL-4-[3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYBUTYLIDENE]CYCLOHEX-2-EN-1-ONE 0.0409 2.3337 NA NA
(4Z,7Z,10Z,13Z,16Z)-N-(2-HYDROXYETHYL)DOCOSA-4,7,10,13,16-PENTAENAMIDE 1.3349 1.0399 NA NA
5,13,17-TRIHYDROXY-9,15-DIKETO-7-METHYL-12-METHYLOL-2,10,16-TRIOXATETRACYCLO[9.7.0.03,8.014,18]OCTADECA-1(11),3(8),4,6,12,14(18)-HEXAENE-4-CARBALDEHYDE 1.4203 0.9546 NA NA
5-[(2-CHLOROACETYL)AMINO]-2-HYDROXY-BENZOIC ACID 0.1207 2.2534 NA NA
5-[(2R,3S,4S)-4,6-DIHYDROXY-2-[(E,3S)-3-HYDROXYOCT-1-ENYL]TETRAHYDROPYRAN-3-YL]VALERIC ACID 1.5468 0.8217 NA NA
5-[[(2R,3S,4S,5R,6R)-6-ETHOXY-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]METHOXY]-3-METHYL-3-OXIDANYL-5-OXIDANYLIDENE-PENTANOIC ACID 1.4683 0.8863 NA NA
5-[[(2R,3S,4S,5R,6S)-3,4-DIHYDROXY-6-[5-HYDROXY-2-(4-HYDROXYPHENYL)-4-KETO-CHROMAN-7-YL]OXY-5-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHOXY]-3-HYDROXY-5-KETO-3-METHYL-VALERIC ACID 0.1625 2.2123 NA NA
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROXY-3,3,5-TRIMETHYLCYCLOHEXYL]OXY-3-HYDROXY-3-METHYL-5-OXOPENTANOIC ACID 2.1893 0.1845 NA NA
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOXAN-2-YL]ETHYL]-N-(2-HYDROXYPHENYL)-4-PHENYL-2-PROPAN-2-YLPYRROLE-3-CARBOXAMIDE 1.6333 0.7417 NA NA
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4R)-4-OXIDANYL-6-OXIDANYLIDENE-OXAN-2-YL]ETHYL]-4-PHENYL-2-PROPAN-2-YL-PYRROLE-3-CARBOXAMIDE 1.6337 0.7413 NA NA
5-(4-HYDROXYPENTYL)RESORCINOL 2.1737 0.1986 NA NA
5,6-EPETRE 1.4189 0.9481 NA NA
5,7-DIHYDROXY-2-[4-HYDROXY-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-PHENYL]-3-METHOXY-CHROMONE 0.1371 2.2375 NA NA
5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE 1.2610 1.1139 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE 0.0079 2.3662 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-3-YL BETA-D-GLUCOPYRANOSIDURONIC ACID 0.3534 2.0210 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)CHROMAN-4-ONE 0.1126 2.2621 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-4H-CHROMEN-4-ONE 0.1305 2.2426 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)CHROMONE 0.2378 2.1292 NA NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-6-(3,4,5-TRIHYDROXYOXAN-2-YL)-4H-CHROMEN-4-ONE 0.1535 2.2210 NA NA
5,7-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-4H-CHROMEN-4-ONE 1.5282 0.8465 NA NA
5-ACETAMIDO-2-HYDROXYBENZOIC ACID 1.7968 0.5775 NA NA
5-ACETAMIDO-4-KETO-HEXANOIC ACID 0.0714 2.2945 NA NA
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL 1.3329 1.0420 NA NA
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL 1.1407 1.2342 NA NA
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE 1.0780 1.2969 NA NA
5-AMINOIMIDAZOLE-4-CARBOXAMIDE 0.3372 2.0373 NA NA
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL]METHYL}THIOPHENE-2-CARBOXAMIDE 1.3080 1.0665 NA NA
5^-DEOXYADENOSINE 1.1635 1.2115 NA NA
5-[(E)-2-(3-HYDROXY-4-METHOXY-PHENYL)VINYL]RESORCINOL 0.1682 2.2064 NA NA
5-ETHANOYL-8-OXIDANYL-1H-QUINOLIN-2-ONE 0.1916 2.1763 NA NA
5-FORMYL-2-HYDROXY-BESYLIC ACID 1.1404 1.2345 NA NA
5-GLUTAMYL-ALANINE 0.6223 1.7518 NA NA
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE 1.6159 0.7573 NA NA
5-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXO-4H-CHROMEN-7-YL 2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE 1.1101 1.2645 NA NA
5-HYDROXY-2-(5-KETOTETRAHYDROFURAN-2-YL)-2-METHYL-7-METHYLOL-CHROMAN-4-ONE 1.6188 0.7517 NA NA
5-HYDROXY-7-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-2-(3,4,5-TRIMETHOXYPHENYL)CHROMONE 2.1104 0.2633 NA NA
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDROXYPHENYL)HEPTAN-3-ONE 1.2931 1.0815 NA NA
5-HYDROXYISOPHTHALIC ACID 1.7832 0.5882 NA NA
5-HYDROXYPSEUDOBAPTIGENIN 0.0340 2.3409 NA NA
5-KETO-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-3-CARBOXYLIC ACID 1.5518 0.7905 NA NA
5-METHOXYURIDINE 2.1898 0.1798 NA NA
5-OXOTETRAHYDROFURAN-2,3-DICARBOXYLIC ACID 0.1813 2.1497 NA NA
(5S)-5-METHYLIMIDAZOLIDINE-2,4-DIONE 1.5512 0.8208 NA NA
5S-HETE 1.4525 0.9208 NA NA
5Z,8Z,11Z,14Z-EICOSATETRAENEDIOIC ACID 2.3373 0.0355 NA NA
6-(2-PROPARGYLOXYPHENYL)HEXANOIC ACID 2.3516 0.0233 NA NA
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B][1,4]BENZOTHIAZEPIN-2-OL 0.9922 1.3826 NA NA
6-[[4,4,6A,6B,11,11,14B-HEPTAMETHYL-8A-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYCARBONYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-4-[4,5-DIHYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-3,5-DIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID 0.5228 1.8374 NA NA
6-{[4-FORMYL-2-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-8A-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CARBONYL)-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-YL]OXY}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID 1.0449 1.3294 NA NA
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE 1.8174 0.5557 NA NA
6-AMINO-7H-PURIN-8-OL 1.9987 0.3762 NA NA
6-AMINOPYRIDINE-3-CARBOXYLIC ACID 1.2016 1.1732 NA NA
(6E,10Z,14E)-2-KETO-6,14-DIMETHYL-3-METHYLENE-3A,4,5,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA[B]FURAN-10-CARBOXYLIC ACID 2.3468 0.0282 NA NA
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-(2,3,4,5,6-PENTAHYDROXYHEXOXY)DECA-6,8-DIENOIC ACID 1.8321 0.5403 NA NA
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-DECA-6,8-DIENOIC ACID 0.6256 1.7433 NA NA
6-HYDROXY-8-[(1R)-1-HYDROXY-2-{[1-(4-METHOXYPHENYL)-2-METHYLPROPAN-2-YL]AMINO}ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE 1.5684 0.8066 NA NA
6-METHOXY-2-METHYL-2-OXIDO-SPIRO[3,4-DIHYDROISOQUINOLIN-2-IUM-1,7^-6,8-DIHYDROCYCLOPENTA[G][1,3]BENZODIOXOLE]-7,8^-DIOL 0.6014 1.7706 NA NA
6-METHOXY-7H-PURIN-2-AMINE 1.1641 1.2109 NA NA
6-METHYL-2-[(4-METHYLPHENYL)AMINO]-3,1-BENZOXAZIN-4-ONE 1.3104 1.0619 NA NA
6-PIPERAZINO-7H-PURINE 1.9656 0.3980 NA NA
7,11B-DIHYDROINDENO[2,1-C]CHROMENE-3,4,6A,9,10(6H)-PENTOL 2.3045 0.0700 NA NA
7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(4-HYDROXYPHENYL)-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-CHROMONE 0.0190 2.3489 NA NA
7-(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)OXY-2-(4-HYDROXYPHENYL)CHROMAN-3,5-DIOL 1.7933 0.5810 NA NA
7-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]OXAN-2-YL]OXY}-5-HYDROXY-2-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE 0.1216 2.2526 NA NA
7-[4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(4-HYDROXYPHENYL)CHROMAN-4-ONE 0.6594 1.7136 NA NA
7.ALPHA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL GLUCURONIDE 0.0124 2.3625 NA NA
7-HYDROXY-3-(2-HYDROXYETHYL)-4-METHYL-2H-CHROMEN-2-ONE 0.4283 1.9467 NA NA
7-METHYL-1-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-1,4A,5,6,7,7A-HEXAHYDROCYCLOPENTA[C]PYRAN-4-CARBOXYLIC ACID 1.2644 1.0765 NA NA
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM 4-OXIDE 0.9267 1.4479 NA NA
(7R)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(HEXADECANOYLOXY)-3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM 4-OXIDE 1.1364 1.2198 NA NA
8-[(1R,2S)-2-(2-CARBOXYETHYL)-5-KETO-CYCLOPENT-3-EN-1-YL]-6-KETO-CAPRYLIC ACID 0.5012 1.8689 NA NA
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-3,4-BIS(OXIDANYL)OXAN-2-YL]-2-(4-HYDROXYPHENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONE 0.0496 2.3166 NA NA
8-[(4AR,5R,7AS)-2,6-DIOXO-3,4,4A,5,7,7A-HEXAHYDROCYCLOPENTA[B]PYRAN-5-YL]-6-OXOOCTANOIC ACID 1.4465 0.9135 NA NA
8,9-DIHETRE 1.9512 0.4226 NA NA
8-HYDROXY-5-QUINOLINECARBOXYLIC ACID 1.3344 1.0404 NA NA
8-METHOXY-2,3-DIMETHYLOL-1-(3,4,5-TRIMETHOXYPHENYL)TETRALIN-6,7-DIOL 2.2146 0.1579 NA NA
(8Z,11Z,14Z,17Z)-5,6-DIHYDROXYEICOSA-8,11,14,17-TETRAENOIC ACID 1.6944 0.6791 NA NA
9-[3,4-DIHYDROXY-5-[(METHYLTHIO)METHYL]TETRAHYDROFURAN-2-YL]-3H-PURIN-6-ONE 2.2706 0.1044 NA NA
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-YL]-3H-PURIN-6-ONE 2.1556 0.2161 NA NA
9-GLYCERYLOXY-9-KETO-PELARGONIC ACID 2.3733 0.0016 NA NA
9-HYDROXY-2,6,12-TRIMETHYL-12-[2-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYETHYL]-15-OXATETRACYCLO[8.4.1.01,10.02,7]PENTADECANE-6-CARBOXYLIC ACID 0.1010 2.2707 NA NA
9-HYDROXY-NONANOIC ACID 0.9714 0.8805 NA NA
9-KETO-9-METHOXY-PELARGONIC ACID 0.7576 1.3331 NA NA
9-METHOXY-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYPHENYL]-[1,3]DIOXOLO[4,5-G]CHROMEN-8-ONE 0.0187 2.3525 NA NA
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [2-HYDROXY-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-PROPYL] ESTER 1.7827 0.5916 NA NA
ACAMPROSATE 0.9172 1.4577 NA NA
ACESULFAME 2.3282 0.0467 NA NA
ACETIC ACID [(2R,3S,4S,5R,6S)-6-[3,5-DIHYDROXY-2-[3-(4-HYDROXYPHENYL)PROPANOYL]PHENOXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHYL ESTER 1.1478 1.2265 NA NA
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(3,4-DIHYDROXYPHENYL)ETHYL]PENTYL] ESTER 1.9381 0.4359 NA NA
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(4-HYDROXYPHENYL)ETHYL]PENTYL] ESTER 0.0561 2.3182 NA NA
ADIPIC ACID 2.1963 0.1495 NA NA
ALA PRO 1.7718 0.6028 NA NA
ALLANTOIC ACID 1.6995 0.6753 NA NA
ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-ALPHA-D-GALACTOPYRANOSYL-(1->3)-D-GALACTOPYRANOSE 0.3978 1.9766 NA NA
ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-D-GLUCOSE 0.2251 2.1492 NA NA
ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-D-GLUCOSE 0.0171 2.3560 NA NA
ALPHA-D-MANNOPYRANOSYL-(1->3)-D-MANNOPYRANOSE 0.3570 2.0122 NA NA
ALPHA-N-PHENYLACETYLGLUTAMINE 0.5923 1.7827 NA NA
AMINOSALICYLIC ACID 1.3391 1.0247 NA NA
AMPA 0.6258 1.7286 NA NA
ANACARDIC ACID 1.3421 1.0328 NA NA
ANDROSTERONE 3-GLUCURONIDE 0.0339 2.3409 NA NA
APIGENIN 0.1577 2.2171 NA NA
APIIN 0.0464 2.3283 NA NA
ARABINONIC ACID 0.1701 2.2044 NA NA
ARABINOSE 1.5557 0.8061 NA NA
ARGININE 1.8310 0.5434 NA NA
BENZENESULFONIC ACID 1.9347 0.4334 NA NA
BENZOIC ACID 0.2543 2.1181 NA NA
BETA-D-FRUCTOFURANOSYL ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSIDE 0.0117 2.3614 NA NA
BETA-D-GALACTOPYRANOSYL-(1->4)-D-MANNOPYRANOSE 0.6976 1.6768 NA NA
BETA-D-GLUCOPYRANOSYL ALPHA-D-GLUCOPYRANOSIDE 0.4963 1.8784 NA NA
BETA-GLYCEROPHOSPHORIC ACID 1.8387 0.5349 NA NA
BILIRUBIN 1.7514 0.6236 NA NA
CAR(DC5:0(3ME)) 2.0839 0.2785 NA NA
CARGLUMIC ACID 0.7849 1.5900 NA NA
CARNOSINE 0.4038 1.9710 NA NA
CATECHIN 0.8531 1.5205 NA NA
CATECHIN 7-O-APIOFURANOSIDE 0.5806 1.7875 NA NA
CER 17:0;2O/17:0;(3OH) 2.0576 0.3173 NA NA
CER 18:0;2O/17:0;(3OH) 2.2771 0.0976 NA NA
CER 19:0;2O/17:0;(3OH) 1.9615 0.4133 NA NA
CHLOROTHIAZIDE 0.5397 1.8340 NA NA
CHOLESTEROL SULFATE 1.8682 0.5068 NA NA
CIRSIMARITIN 2.2777 0.0938 NA NA
CIS-4-HYDROXYPROLINE 0.6789 1.6858 NA NA
CITRACONIC ACID 1.2402 0.8019 NA NA
CITRULLINE 1.9429 0.4319 NA NA
COATLINE A 0.2112 2.1617 NA NA
COATLINE B 0.1001 2.2746 NA NA
COPROCHOLIC ACID 1.5568 0.8181 NA NA
COPROPORPHYRIN I 0.2824 2.0894 NA NA
CORTISOL 21-SULFATE 1.0638 1.3111 NA NA
CREATINE 0.5734 1.8015 NA NA
CURCUMIN 0.6072 1.7678 NA NA
CYCLOHEXANE-1,3-DICARBOXYLIC ACID 1.4413 0.8771 NA NA
CYSTEIC ACID 1.5176 0.8563 NA NA
CYSTEINE-S-SULFATE 1.1869 1.1873 NA NA
CYTIDINE 2.0010 0.3711 NA NA
DAIDZEIN 0.0079 2.3670 NA NA
DAMP 0.4718 1.9028 NA NA
D-ASPARAGINE 2.1996 0.1685 NA NA
DEHYDROEPIANDROSTERONE SULFATE 2.3081 0.0668 NA NA
DEOXYCHOLIC ACID 2.2783 0.0960 NA NA
DEOXYCYTIDINE 2.1660 0.2083 NA NA
DEOXYURIDINE 2.1549 0.2200 NA NA
DIETHYLPHOSPHATE 1.3040 1.0596 NA NA
DIHYDROOROTIC ACID 1.3438 1.0275 NA NA
DIMETHYLARGININE 0.7440 1.6309 NA NA
DINOTERB 0.3585 0.3708 NA NA
DIOSMIN 0.0892 2.2843 NA NA
DL-THREONINE 1.9453 0.4284 NA NA
DOPA 0.9638 1.3989 NA NA
DTMP 2.3229 0.0519 NA NA
(E)-2,7-DIMETHYL-8-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-4-DECENEDIOIC ACID 0.9675 1.4065 NA NA
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)-N-PHENYL-ACRYLAMIDE 0.6251 1.7481 NA NA
(E)-2-METHYLBUT-2-ENOIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(E)-2-METHYLBUT-2-ENOYL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHYL ESTER 1.2858 0.4994 NA NA
(E)-2-METHYLBUT-2-ENOIC ACID [6-[[6-(3,4-DIHYDROXY-2,5-DIMETHYLOL-TETRAHYDROFURAN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHOXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHYL ESTER 0.3556 2.0181 NA NA
(E,2S,3R)-5-(3-HYDROXY-2-METHYLOL-PHENYL)PENT-4-ENE-2,3-DIOL 1.5391 0.8308 NA NA
(E)-3-[(2R,3S)-7-METHOXY-2-[3-METHOXY-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PHENYL]-3-METHYLOL-COUMARAN-5-YL]ACRYLIC ACID 1.5245 0.8428 NA NA
(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID [2,6-DIHYDROXY-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-CYCLOHEX-3-EN-1-YL] ESTER 0.3232 2.0499 NA NA
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-3-METHOXY-PHENYL]ACRYLIC ACID 1.4074 0.9367 NA NA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID 2-BORNYL ESTER 0.4870 1.8868 NA NA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2S,3S,4R,5R)-4-HYDROXY-2,5-DIMETHYLOL-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROFURAN-3-YL] ESTER 0.0517 2.3223 NA NA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [3,4-DIHYDROXY-5-METHYLOL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROFURAN-2-YL]METHYL ESTER 0.0651 2.3091 NA NA
(E)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(E)-3-(4-HYDROXYPHENYL)ACRYLOYL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-ACRYLIC ACID 0.2444 2.1220 NA NA
(E)-4-(3,4-DIHYDROXYPHENYL)BUT-3-EN-2-ONE 0.2430 2.1297 NA NA
(E)-4-HYDROXYNON-2-ENOIC ACID 1.2607 1.1122 NA NA
(E)-9-(1,3-BENZODIOXOL-5-YL)NON-8-ENOIC ACID 0.4327 1.9358 NA NA
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLAMIDE 0.1557 2.2191 NA NA
ERYTHRITOL 1.3354 1.0228 NA NA
ERYTHROSE 0.2821 2.0874 NA NA
ESTRONE 3-GLUCURONIDE 0.4795 1.8925 NA NA
ETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE 0.2339 2.1385 NA NA
ETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE 1.2680 1.1058 NA NA
ETHYL 3,4,5-TRIHYDROXYBENZOATE 0.0400 2.3346 NA NA
ETHYL GLUCURONIDE 0.0748 2.3000 NA NA
ETHYLMALONIC ACID 1.7816 0.5905 NA NA
FAHFA 16:0/18:2 1.7273 0.6473 NA NA
FAHFA 16:0/3:0 1.3749 0.9755 NA NA
FAHFA 2:0/24:1 1.8381 0.5367 NA NA
FAHFA 22:6/18:0 1.1546 1.2191 NA NA
FAHFA 22:6/18:1 0.8087 1.5639 NA NA
FAHFA 3:0/22:0 0.5893 1.7854 NA NA
FAHFA 3:0/23:0 0.8500 1.5250 NA NA
FAHFA 3:0/24:0 0.2546 2.1204 NA NA
FAHFA 3:0/24:1 0.6393 1.7355 NA NA
FAHFA 4:0/23:0 0.2548 2.1202 NA NA
FAHFA 4:0/24:1 1.0651 1.3097 NA NA
FAMOTIDINE 2.1406 0.2326 NA NA
FEXOFENADINE 1.3612 1.0138 NA NA
FORMYLANTHRANILIC ACID 2.1378 0.2279 NA NA
GALACTOSE 1.8554 0.5166 NA NA
GALACTURONIC ACID 1.3448 0.9298 NA NA
GAMMA-GLUTAMYLGLUTAMIC ACID 0.7229 1.6510 NA NA
GAMMA-GLUTAMYLTYROSINE 1.3563 1.0144 NA NA
GAMMA-TOCOPHEROL 1.3412 1.0338 NA NA
GENISTEIN 0.0450 2.3298 NA NA
GENISTEIN 7-O-APIOSYL-(1->6)-GLUCOSIDE 0.0407 2.3340 NA NA
GENTISIC ACID 1.8508 0.5216 NA NA
GINKGOLIC ACID 1.5546 0.8204 NA NA
GLUCONIC ACID 0.4813 1.8904 NA NA
GLUCONOLACTONE 1.2312 1.0578 NA NA
GLUCOSAN 0.2618 2.1127 NA NA
GLUTAMIC ACID 1.7135 0.6608 NA NA
GLUTARIC ACID 1.0487 1.3193 NA NA
GLU VAL PHE 1.0906 1.2830 NA NA
GLYCOCHOLIC ACID 0.0069 2.3681 NA NA
GLYCOURSODEOXYCHOLIC ACID 0.0156 2.3594 NA NA
GLYCYLGLYCYL-L-LEUCINE 0.2366 2.1274 NA NA
GLYCYL-L-METHIONINE 1.9836 0.3908 NA NA
GLYCYL-L-TRYPTOPHAN 1.5461 0.8276 NA NA
GLY-PRO 1.8434 0.5244 NA NA
GLY-VAL 1.9601 0.4147 NA NA
GUANOSINE 1.9544 0.4197 NA NA
HEXANOYLGLYCINE 0.3700 2.0033 NA NA
HEXCER 18:0;2O/18:2;O 2.1418 0.2211 NA NA
HEXCER 18:0;3O/16:0;(2OH) 0.4594 1.8956 NA NA
HYDROCHLOROTHIAZIDE 1.2038 1.1709 NA NA
IMIDAZOLEACETIC ACID 0.8358 1.4743 NA NA
INDOXYL SULFATE 1.9526 0.4201 NA NA
ISOACETOVANILLONE 0.3397 2.0306 NA NA
ISOBUTYRYLGLYCINE 0.7729 1.5988 NA NA
ISOLITHOCHOLIC ACID 2.3652 0.0098 NA NA
ISOMALTOSE 0.1708 2.2039 NA NA
ISOROSMANOL 1.2551 1.1195 NA NA
ISOVALERYLGLYCINE 0.3969 1.9742 NA NA
ITACONIC ACID 0.5939 1.7772 NA NA
KETOISOVALERIC ACID 1.6092 0.7633 NA NA
KETOLEUCINE 1.3081 1.0535 NA NA
L-ALANYL-L-GLUTAMIC ACID 2.2200 0.1505 NA NA
L-ALANYL-L-METHIONINE 2.0324 0.3418 NA NA
L-ALANYL-L-SERINE 2.1984 0.1754 NA NA
L-ALANYL-L-THREONINE 2.0830 0.2910 NA NA
L-ALPHA-ASPARTYL-L-ISOLEUCINE 1.7037 0.6711 NA NA
L-ALPHA-ASPARTYL-L-LEUCINE 2.1721 0.2027 NA NA
L-ALPHA-ASPARTYL-L-VALINE 1.6990 0.6685 NA NA
L-ARABITOL 1.5732 0.8010 NA NA
L-ASPARAGINYL-L-ISOLEUCINE 1.7144 0.6603 NA NA
L-ASPARAGINYL-L-PHENYLALANINE 1.8891 0.4839 NA NA
L-ASPARAGINYL-L-PROLINE 1.3155 1.0594 NA NA
L-ASPARAGINYL-L-TRYPTOPHAN 1.4821 0.8871 NA NA
L-ASPARAGINYL-L-VALINE 1.9465 0.4281 NA NA
LEIOCARPOSIDE 0.2934 2.0798 NA NA
LEUCINIC ACID 0.4841 1.8904 NA NA
LEUCROSE 0.1846 2.1899 NA NA
LEU GLY GLY 1.8395 0.5349 NA NA
LEU GLY LEU 2.1824 0.1877 NA NA
L-ISOLEUCYL-L-GLUTAMINE 1.6512 0.7212 NA NA
L-ISOLEUCYL-L-SERINE 2.1761 0.1931 NA NA
L-ISOLEUCYL-L-THREONINE 1.5035 0.8706 NA NA
L-LEUCYL-L-ASPARAGINE 2.2867 0.0881 NA NA
L-LEUCYL-L-GLUTAMIC ACID 1.9017 0.4731 NA NA
L-LEUCYL-L-ISOLEUCINE 0.1610 2.2140 NA NA
L-LEUCYL-L-PROLINE 1.5266 0.8483 NA NA
L-LEUCYL-L-SERINE 0.8377 1.5311 NA NA
L-LEUCYL-L-THREONINE 1.5035 0.8706 NA NA
L-LEUCYL-L-TRYPTOPHAN 2.2333 0.1416 NA NA
L-METHIONINE S-OXIDE 1.7411 0.6338 NA NA
L-METHIONYL-L-GLUTAMIC ACID 2.1907 0.1802 NA NA
L-METHIONYL-L-THREONINE 2.1096 0.2631 NA NA
LPC(14:0) 0.4159 1.9589 NA NA
L-PHENYLALANYL-L-GLUTAMIC ACID 1.1397 1.2343 NA NA
L-PHENYLALANYL-L-TRYPTOPHAN 2.0359 0.3369 NA NA
L-PHENYLALANYL-L-TYROSINE 1.4910 0.8836 NA NA
L-PROLYL-L-ASPARTIC ACID 0.5086 1.8649 NA NA
L-SERYLGLYCINE 1.8771 0.4968 NA NA
L-SERYL-L-ALANINE 2.2488 0.1252 NA NA
L-SERYL-L-LEUCINE 1.9085 0.4652 NA NA
L-SERYL-L-PHENYLALANINE 1.6171 0.7570 NA NA
L-SERYL-L-PROLINE 1.6621 0.7111 NA NA
L-SERYL-L-THREONINE 1.8967 0.4780 NA NA
L-SERYL-L-VALINE 1.8799 0.4943 NA NA
L-THREONYLGLYCINE 2.0492 0.3252 NA NA
L-THREONYL-L-ALANINE 1.9501 0.4242 NA NA
L-THREONYL-L-LEUCINE 1.7063 0.6683 NA NA
L-THREONYL-L-METHIONINE 1.9323 0.4412 NA NA
L-THREONYL-L-PROLINE 1.7624 0.6125 NA NA
L-THREONYL-L-SERINE 1.8583 0.5162 NA NA
L-THREONYL-L-THREONINE 1.6681 0.7068 NA NA
L-THREONYL-L-VALINE 1.7495 0.6252 NA NA
L-TRYPTOPHYL-L-GLUTAMIC ACID 1.9828 0.3907 NA NA
L-TRYPTOPHYL-L-LEUCINE 2.1055 0.2693 NA NA
L-TRYPTOPHYL-L-PROLINE 1.4378 0.9370 NA NA
L-TRYPTOPHYL-L-TRYPTOPHAN 1.9816 0.3899 NA NA
L-TYROSYL-L-LEUCINE 1.7436 0.6308 NA NA
L-TYROSYL-L-PHENYLALANINE 1.8820 0.4913 NA NA
L-TYROSYL-L-PROLINE 1.5273 0.8476 NA NA
LUMICHROME 1.0913 1.2754 NA NA
LUTEOLIN 0.3473 2.0271 NA NA
L-VALYL-L-LEUCINE 0.8558 1.5111 NA NA
L-VALYL-L-SERINE 1.9848 0.3856 NA NA
L-VALYL-L-THREONINE 1.8996 0.4747 NA NA
MELILOTOCARPAN B 2.0272 0.3447 NA NA
METHIONINE 1.3372 1.0377 NA NA
METHYLGLUTARIC ACID 0.5054 1.6872 NA NA
METHYLMALONIC ACID 1.9724 0.3982 NA NA
METHYLSUCCINIC ACID 0.9532 1.4161 NA NA
MEVALONIC ACID 0.4528 1.9146 NA NA
MGDG 16:0_18:3 1.3575 1.0173 NA NA
MGDG 16:3_18:3 2.1791 0.1957 NA NA
MGDG O-16:1_16:0 1.8458 0.5284 NA NA
MGDG O-18:1_15:0 2.0180 0.3560 NA NA
MGDG O-18:2_16:0 1.6211 0.7538 NA NA
MONOISOBUTYL PHTHALIC ACID 1.2033 1.0779 NA NA
MONOMETHYL GLUTARIC ACID 1.1750 1.1836 NA NA
MYO-INOSITOL 0.2527 2.1222 NA NA
N-[1-(1H-BENZIMIDAZOL-2-YL)ETHYL]BENZENESULFONAMIDE 2.2562 0.1185 NA NA
N-(1,3-BENZOTHIAZOL-2-YL)METHANESULFONAMIDE 0.2137 2.1446 NA NA
N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]ADAMANTANE-1-CARBOXAMIDE 0.2698 2.1052 NA NA
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]-5Z,8Z,11Z,14Z-EICOSATETRAENAMIDE 1.4044 0.9704 NA NA
N-(2-HYDROXYPHENYL)ACETAMIDE 1.6738 0.6990 NA NA
N2,N2-DIMETHYLGUANOSINE 0.0670 2.3074 NA NA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-3-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE 1.3041 1.0707 NA NA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE 0.4117 1.9627 NA NA
N-[(2R,3R,4S,5R)-3,5,6-TRIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE 2.1743 0.1999 NA NA
N-[(2S,3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ETHANIMIDIC ACID 2.1688 0.2061 NA NA
N-[(2S,3R,4R,5S,6R)-5-HYDROXY-6-METHYLOL-2-[(2S,3R,4S,5S,6R)-2,3,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-4-YL]OXY-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDE 0.0590 2.3158 NA NA
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDE 2.3371 0.0378 NA NA
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-2,4-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-3-YL]ACETAMIDE 0.2697 2.1051 NA NA
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}ETHANIMIDIC ACID 0.0077 2.3668 NA NA
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDE 0.0369 2.3353 NA NA
N6-ACETYLLYSINE 1.9842 0.3897 NA NA
N6-METHYLADENOSINE 0.8474 1.5178 NA NA
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OCTADEC-8-EN-2-YL]-2-HYDROXYHEXADECANAMIDE 1.3882 0.9841 NA NA
N-[9-[4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-6-OXO-3H-PURIN-2-YL]-2-METHYL-PROPANAMIDE 1.7361 0.6389 NA NA
N-ACETYLASPARTIC ACID 1.3693 1.0018 NA NA
N-ACETYL-D-PHENYLALANINE 0.9193 1.4540 NA NA
N-ACETYL-D-TRYPTOPHAN 0.4912 1.8836 NA NA
N-ACETYLGLUTAMIC ACID 1.3662 1.0055 NA NA
N-ACETYLGLYCINE 0.2995 2.0316 NA NA
N-ACETYLHISTAMINE 0.5683 1.8058 NA NA
N-ACETYLHISTIDINE 0.8185 1.5560 NA NA
N-ACETYL-L-ALPHA-ASPARTYL-L-GLUTAMIC ACID 0.6854 1.6793 NA NA
N-ACETYLLEUCINE 0.6324 1.7422 NA NA
N-ACETYLNEURAMINATE 1.9731 0.4019 NA NA
N-ACETYLORNITHINE 1.5657 0.8080 NA NA
N-ACETYLTHREONINE 0.1747 2.1907 NA NA
N-ACETYLTYROSINE 0.9378 1.4368 NA NA
N-ACETYLVALINE 1.0356 0.6304 NA NA
N-AMIDINO-L-GLUTAMATE 1.7133 0.6611 NA NA
N-ARACHIDONOYL L-SERINE 2.1686 0.2060 NA NA
NARCISSIN 0.1135 2.2603 NA NA
NARIRUTIN 0.0695 2.3051 NA NA
N-[(E,1S,2R)-2-HYDROXY-1-[[(2R,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXYMETHYL]HEPTADEC-3-ENYL]HEXADECANAMIDE 1.0112 1.3611 NA NA
N-FORMYLGLYCINE 1.0271 1.0507 NA NA
N-MESYL-6-(2-PROPARGYLOXYPHENYL)HEXANAMIDE 2.2896 0.0850 NA NA
N,N^-DIHYDROXYOCTANEDIAMIDE 1.5359 0.7731 NA NA
NOTOGINSENOSIDE R2 1.1310 1.2433 NA NA
N-PALMITOYL TAURINE 0.0720 2.3025 NA NA
N-PHENYLACETYLPHENYLALANINE 0.6739 1.7010 NA NA
N-STEAROYL TAURINE 0.0065 2.3683 NA NA
OCTYL HYDROGEN SULFATE 1.8472 0.5278 NA NA
OROTIC ACID 1.5864 0.7885 NA NA
OXOGLUTARIC ACID 1.5517 0.8205 NA NA
OXYPURINOL 2.1323 0.2383 NA NA
PALATINOSE 0.2085 2.1576 NA NA
PANTETHEINE 0.5185 1.8562 NA NA
PARACETAMOL SULFATE 0.5418 1.8317 NA NA
PC O-16:1_18:1 2.0603 0.3131 NA NA
PHENETHYL(7H-PURIN-6-YL)AMINE 1.6669 0.7046 NA NA
PHENYLACETYLGLYCINE 1.8356 0.5257 NA NA
PHENYLALANINE 0.5360 1.8383 NA NA
PHENYLBUTYRYLGLUTAMINE 0.5513 1.8217 NA NA
PHEOPHORBIDE A 0.1978 2.1769 NA NA
PHOSPHORIC ACID 1.3743 0.6140 NA NA
PHTHALIC ACID 2.0112 0.3222 NA NA
P-HYDROXYPHENYLACETIC ACID 0.3361 2.0389 NA NA
PICOLINIC ACID 1.7512 0.6180 NA NA
PIMELIC ACID 1.4709 0.8611 NA NA
PINORESINOL 0.9242 1.4435 NA NA
PRO-GLU 1.2773 1.0974 NA NA
PROPYL 3,4,5-TRIHYDROXYBENZOATE 0.9727 1.4008 NA NA
PROTOCATECHUIC ACID 0.3270 2.0479 NA NA
PSEUDOURIDINE 1.8770 0.4978 NA NA
PSICOSE 1.3390 1.0353 NA NA
PYRENE-1-CARBOXYLIC ACID 1.1910 1.1833 NA NA
PYRIDOXINE 0.7219 1.6488 NA NA
QUERCETIN 0.4359 1.9390 NA NA
QUINOLINE-2,8-DIOL 1.5283 0.8187 NA NA
QUINOXALIN-6-OL 1.6888 0.6860 NA NA
RIBOFLAVIN 0.0871 2.2878 NA NA
RIBOTHYMIDINE 2.0195 0.3554 NA NA
RUTIN 0.0086 2.3658 NA NA
SALICYLIC ACID 1.0975 1.2763 NA NA
SALICYLURIC ACID 2.2715 0.1031 NA NA
SALSOLINOL 0.0255 2.3495 NA NA
SCHAFTOSIDE 0.1538 2.2208 NA NA
SHIKIMIC ACID 0.1543 2.2202 NA NA
SILIBININ 2.1219 0.2528 NA NA
SINAPIC ACID 1.3943 0.9792 NA NA
SODIUM;(2S,4S,5R,6R)-5-ACETAMIDO-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-2-[[(2R,3S,4R,5R)-4,5,6-TRIHYDROXY-3-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHOXY]TETRAHYDROPYRAN-2-CARBOXYLATE 0.0020 2.3725 NA NA
SORBIC ACID 1.7249 0.5030 NA NA
SORBITOL 0.6339 1.7390 NA NA
SPINACETIN 3-GENTIOBIOSIDE 0.0059 2.3636 NA NA
SUBERIC ACID 1.8503 0.4994 NA NA
SUCCINIC ACID 1.6308 0.7185 NA NA
SUCRALOSE 0.0904 2.2840 NA NA
SUCROSE 0.7075 1.5841 NA NA
SULFOACETIC ACID 0.3488 2.0254 NA NA
SULFURIC ACID [(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-HYDROXY-3-KETO-10,13-DIMETHYL-2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]ETHYL] ESTER 2.0566 0.3184 NA NA
SULFURIC ACID [(1R,2R,3R)-3-ACETAMIDO-1-[(1R)-1,2-DIHYDROXYETHYL]-2-HYDROXY-4-KETO-BUTYL] ESTER 0.0162 2.3586 NA NA
SULFURIC ACID [(2R,3S,4S,5R)-3,4,5-TRIHYDROXY-6-[2,4,6-TRICHLORO-3-[2-[IMIDAZOLE-1-CARBONYL(PROPYL)AMINO]ETHOXY]PHENOXY]TETRAHYDROPYRAN-2-YL]METHYL ESTER 0.0034 2.3715 NA NA
SULFURIC ACID [(3S,5S,8R,9S,10S,13S,14S,17S)-17-ACETYL-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTER 1.3459 1.0290 NA NA
SULFURIC ACID [(3S,8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTER 0.6241 1.7508 NA NA
SULFURIC ACID [4-(7-HYDROXY-4-OXO-1-BENZOPYRAN-3-YL)PHENYL] ESTER 0.0312 2.3436 NA NA
SULFURIC ACID [(8R,9S,10R,13S,14S,17R)-3-KETO-10,13-DIMETHYL-1,2,6,7,8,9,11,12,14,15,16,17-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL] ESTER 2.3295 0.0455 NA NA
SULFURIC ACID LAURYL ESTER 1.1892 1.1832 NA NA
TAURINE 0.5664 1.8011 NA NA
TAUROCHENODEOXYCHOLIC ACID 0.0315 2.3434 NA NA
TAUROCHOLIC ACID 0.0181 2.3561 NA NA
TAURODEOXYCHOLIC ACID 0.0393 2.3356 NA NA
TAUROLITHOCHOLATE SULFATE 0.0950 2.2800 NA NA
TAUROSTEINE 1.0775 1.2971 NA NA
TEREPHTHALIC ACID 1.9197 0.3681 NA NA
THEOPHYLLINE 0.8184 1.5546 NA NA
THREONIC ACID 0.9269 1.4478 NA NA
THR GLU 2.2247 0.1498 NA NA
THR TRP 1.7861 0.5842 NA NA
THR TYR 2.1279 0.2457 NA NA
THR VAL LEU 1.3521 1.0226 NA NA
TOPIRAMATE 0.7898 1.5845 NA NA
TRANS-ZEATIN 1.0529 1.3201 NA NA
TRAUMATIC ACID 2.0853 0.2875 NA NA
TRIACANTHINE 1.6957 0.5881 NA NA
TRICHODIMEROL 1.3650 1.0097 NA NA
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM 1.7724 0.5979 NA NA
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM 0.4601 1.9075 NA NA
TRIMETHYL(2-{[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM 1.0089 1.3595 NA NA
TRYPTOPHAN NA NA NA NA
UREIDOPROPIONIC ACID 0.6011 1.7737 NA NA
URIDINE 2.2965 0.0784 NA NA
URSODEOXYCHOLIC ACID 1.9874 0.3876 NA NA
VANILLIC ACID 1.8522 0.5216 NA NA
VITEXIN 0.0347 2.3402 NA NA
XANTHINE 1.9829 0.3921 NA NA
XANTHURENIC ACID 1.2208 1.1377 NA NA
XI-NOREPINEPHRINE 1.9195 0.4550 NA NA
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID 1.4590 0.7808 NA NA
(Z)-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYOCT-5-ENOIC ACID 1.8331 0.5175 NA NA
(Z)-3-(4-HYDROXYPHENYL)-N-[4-[[(Z)-3-(4-HYDROXYPHENYL)ACRYLOYL]AMINO]BUTYL]ACRYLAMIDE 0.1290 2.2450 NA NA
(Z)-3-(PENTADEC-8-EN-1-YL)BENZENE-1,2-DIOL 2.3703 0.0045 NA NA
(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-ACRYLIC ACID 1.7990 0.5757 NA NA
(Z)-5-(HEPTADEC-8-EN-1-YL)BENZENE-1,3-DIOL 1.8096 0.5586 NA NA
(Z)-7-[(2R,3R)-3-[(E,3R)-4-(4-IODANYLPHENOXY)-3-OXIDANYL-BUT-1-ENYL]-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]HEPT-5-ENOIC ACID 1.1273 1.2131 NA NA
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACID 1.0292 1.3428 NA NA
ZEARALANONE 2.0132 0.3186 NA NA
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Concentration:0.5x | FMT:Post | Sample type:Fecal matter
F2Concentration:0.5x | FMT:Pre | Sample type:Fecal matter
F3Concentration:2x | FMT:Post | Sample type:Fecal matter
F4Concentration:2x | FMT:Pre | Sample type:Fecal matter
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