Exact Mass: 502.1087

Exact Mass Matches: 502.1087

Found 229 metabolites which its exact mass value is equals to given mass value 502.1087, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6'-O-Malonyldaidzin

3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C24H22O12 (502.1111)

Present in soy foods; potential nutriceutical. 6-Malonyldaidzin is found in many foods, some of which are soy milk, soy sauce, soy bean, and soy yogurt. 6-O-Malonyldaidzin is found in miso. 6-O-Malonyldaidzin is present in soy foods; potential nutriceutical.

Fluvalinate

cyano(3-phenoxyphenyl)methyl 2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoate

C26H22ClF3N2O3 (502.1271)

D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals

beta-Fabatriose

alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside; beta-Fabatriose

C18H30O16 (502.1534)

tau-fluvalinate

C26H22ClF3N2O3 (502.1271)

CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5116; ORIGINAL_PRECURSOR_SCAN_NO 5114 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5808; ORIGINAL_PRECURSOR_SCAN_NO 5805 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5095; ORIGINAL_PRECURSOR_SCAN_NO 5094 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5162; ORIGINAL_PRECURSOR_SCAN_NO 5161 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5136; ORIGINAL_PRECURSOR_SCAN_NO 5134 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5838; ORIGINAL_PRECURSOR_SCAN_NO 5836

Garciduol B

2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-1,4,5-trihydroxy-9H-xanthen-9-one

C27H18O10 (502.09)

Garciduol B is found in fruits. Garciduol B is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Garciduol B is found in fruits.

5-S-glutathionyl-L-DOPA

(2S)-2-Amino-4-{[(1R)-2-({5-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl}sulphanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C19H26N4O10S (502.137)

5-S-glutathionyl-L-DOPA is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-S-glutathionyl-L-DOPA is considered to be practically insoluble (in water) and acidic

(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H27ClO8 (502.1394)

Sinocrassoside A1

C25H26O11 (502.1475)

Puerarin 6-O-malonate

7,4-Dihydroxyisoflavone 7-C-(6-malonylglucoside)

C24H22O12 (502.1111)

Haematocin

C24H26N2O6S2 (502.1232)

Apigenin 7-(2-acetyl-6-methylglucuronide)

5,7,4-Trihydroxyflavone 7- (2"-acetyl-6"-methylglucuronide)

C24H22O12 (502.1111)

1-O-(E)-p-coumaroyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-p-coumaroyl-[beta-(1->2)-glucuronosyl]-beta-glucose

C21H26O14 (502.1322)

viburnolide C

C21H26O14 (502.1322)

chrysin-7-O-glucoside-6-O-malonyl ester

C24H22O12 (502.1111)

apigenin 7-O-beta-D-glucuronopyranoside butyl ester|Apigenin-7-O-??-D-glucuronide butyl ester

C25H26O11 (502.1475)

SCHEMBL13922309

C31H18O7 (502.1052)

Crassifoside E

C25H26O11 (502.1475)

Bistratamide C

C22H26N6O4S2 (502.1457)

9,10-Anthracenedione, 8-[[6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-1-hydroxy-3-methyl-

C24H22O12 (502.1111)

C18H30O16

C18H30O16 (502.1534)

6,7-(di-beta-D-glucopyranosyloxy)-2H-1-benzopyran-2-one|6,7-di-O-beta-D-glucopyranosylesculetin|6,7-di-O-glucopyranosylaesculetin

C21H26O14 (502.1322)

Ustilaginoidin F

C28H22O9 (502.1264)

8-acetoxy-2,2,6-trimethoxy-3,4,4,5-methylenedioxyphenyl-7,7-dioxabicyclo[3.3.0]octane

C25H26O11 (502.1475)

4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(4-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate

C25H26O11 (502.1475)

4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(6-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate

C25H26O11 (502.1475)

C25H26O11

C25H26O11 (502.1475)

everlastoside L

C25H26O11 (502.1475)

apigenin-7-O-(6-butyryl-beta-glucopyranoside)

C25H26O11 (502.1475)

7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl-8-hydroxy-6-methoxycoumarin|nitensoside A

C21H26O14 (502.1322)

(1,1-Biphenyl)-2,24,4,6,6-hexol, hexaacetate

C24H22O12 (502.1111)

Di-O-beta-D-glucopyranoside3,7-Dihydroxy-4H-1-benzopyran-4-one

C21H26O14 (502.1322)

7-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-8-hydroxycoumarin

C24H22O12 (502.1111)

NSC25298

C21H26O12S (502.1145)

4,6-Diacetyl puerarin

C25H26O11 (502.1475)

13-hydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol

C21H26O12S (502.1145)

Isoflavone base + 2O, O-MalonylHex

C24H22O12 (502.1111)

Annotation level-3

Cys Cys Asp Tyr

(3S)-3-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Cys Cys Phe Met

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O5S3 (502.1378)

Cys Cys Met Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C20H30N4O5S3 (502.1378)

Cys Cys Tyr Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C19H26N4O8S2 (502.1192)

Cys Asp Cys Tyr

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Cys Asp Glu His

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Cys Asp His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C18H26N6O9S (502.1482)

Cys Asp Tyr Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Cys Glu Asp His

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Cys Glu His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C18H26N6O9S (502.1482)

Cys Phe Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O5S3 (502.1378)

Cys Phe Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

Cys His Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]pentanedioic acid

C18H26N6O9S (502.1482)

Cys His Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]butanedioic acid

C18H26N6O9S (502.1482)

Cys Met Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C20H30N4O5S3 (502.1378)

Cys Met Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

Cys Met Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Cys Met Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Cys Ser Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Cys Ser Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Cys Tyr Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C19H26N4O8S2 (502.1192)

Cys Tyr Asp Cys

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Cys Tyr Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Cys Tyr Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Asp Cys Cys Tyr

(3S)-3-amino-3-{[(1R)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Asp Cys Glu His

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Asp Cys His Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C18H26N6O9S (502.1482)

Asp Cys Tyr Cys

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Asp Glu Cys His

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Asp Glu His Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Asp His Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H26N6O9S (502.1482)

Asp His Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Asp Tyr Cys Cys

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Glu Cys Asp His

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Glu Cys His Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C18H26N6O9S (502.1482)

Glu Asp Cys His

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Glu Asp His Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Glu His Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C18H26N6O9S (502.1482)

Glu His Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

Phe Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O5S3 (502.1378)

Phe Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

Phe Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

His Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C18H26N6O9S (502.1482)

His Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C18H26N6O9S (502.1482)

His Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H26N6O9S (502.1482)

His Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

His Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C18H26N6O9S (502.1482)

His Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H26N6O9S (502.1482)

p-Hydroxycarvedilol sulfate

C24H26N2O8S (502.141)

m-Hydroxycarvedilol sulfate

C24H26N2O8S (502.141)

Met Cys Cys Phe

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C20H30N4O5S3 (502.1378)

Met Cys Phe Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

Met Cys Ser Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Met Cys Tyr Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Met Phe Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C20H30N4O5S3 (502.1378)

Met Ser Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Met Ser Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Met Tyr Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Met Tyr Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Ser Cys Met Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Ser Cys Tyr Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Ser Met Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C20H30N4O7S2 (502.1556)

Ser Met Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Ser Tyr Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Ser Tyr Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Tyr Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C19H26N4O8S2 (502.1192)

Tyr Cys Asp Cys

(3S)-3-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Tyr Cys Met Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Tyr Cys Ser Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Tyr Asp Cys Cys

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C19H26N4O8S2 (502.1192)

Tyr Met Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C20H30N4O7S2 (502.1556)

Tyr Met Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Tyr Ser Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H30N4O7S2 (502.1556)

Tyr Ser Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C20H30N4O7S2 (502.1556)

Garciduol B

2-{2,4-dihydroxy-3-[(3-hydroxyphenyl)carbonyl]-6-methoxyphenyl}-1,4,5-trihydroxy-9H-xanthen-9-one

C27H18O10 (502.09)

Benzyl 3,5-bis(benzyloxy)-4-bromobenzoate

C28H23BrO4 (502.078)

1,3-Benzodithiol-2-yltriphenyl phosphonium tetrafluoroborate

C25H20BF4PS2 (502.0773)

3,5-Bis(3,5-dimethoxybenzyloxy)benzyl Bromide

C25H27BrO6 (502.0991)

PROTAC Linker 16

C22H30O9S2 (502.1331)

α-maltotriose

C18H30O16 (502.1534)

Spirapril hydrochloride

C22H31ClN2O5S2 (502.1363)

D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

3-6-Dehydro Clindamycin 2-Phosphate

C18H32ClN2O8PS (502.1305)

uranyl nitrate hexahydrate

H12N2O14U (502.0796)

Tafamidis meglumine

C21H24Cl2N2O8 (502.091)

C87006 - Pharmacological Chaperone

Fisogatinib

C24H24Cl2N4O4 (502.1175)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor D000970 - Antineoplastic Agents

Capmatinib Hydrochloride

C23H21Cl2FN6O2 (502.1087)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor

1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanol

C19H26N4O10S (502.137)

Bis[5-chloro-1H-indol-2-YL-carbonyl-aminoethyl]-ethylene glycol

C24H24Cl2N4O4 (502.1175)

1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane

C19H26N4O10S (502.137)

Malonyldaidzin

7,4-Dihydroxyisoflavone 7-O-(6-malonylglucoside)

C24H22O12 (502.1111)

A glycosyloxyisoflavone that is daidzein substituted by a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.

Diacetylchitobiose-6-phosphate(2-)

C16H27N2O14P-2 (502.12)

Quinoxaline-2-carboxyl adenylate

C19H17N7O8P- (502.0876)

Cyclo werrol

C30H14O8-2 (502.0689)

amicoumacin B 2-phosphate

C20H27N2O11P-2 (502.1352)

3-[acetyl(hydroxy)amino]propyl-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphinic acid

C14H24N4O12P2 (502.0866)

(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H27ClO8 (502.1394)

7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one

C24H22O12 (502.1111)

D-cellotriono-1,5-lactone

C18H30O16 (502.1534)

D-maltotriono-1,5-lactone

C18H30O16 (502.1534)

[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

C22H22F4N2O5S (502.1185)

beta-D-GlcA-(1->3)-alpha-D-Xyl-(1->3)-beta-D-GlcA

C17H26O17 (502.117)

N-[[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

C21H24F2N2O6S2 (502.1044)

N-[6-(DNCP-amino)hexanoyl]-beta-D-glucosamine

C19H26N4O12 (502.1547)

4-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid

C23H22N2O7S2 (502.0868)

4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

C23H32Cl2N2O4S (502.146)

7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one

C24H22O12 (502.1111)

4-Demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate

C17H23N6O10P (502.1213)

A ribonucleoside 5-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase.

sodium[alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone]

C19H27NaO14 (502.1298)

6-O-MALONYLDAIDZIN

C24H22O12 (502.1111)

7-[(3S)-3-azaniumyl-3-carboxylatopropyl]-6-methyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

C17H23N6O10P (502.1213)

6-({3,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

3,4,5-Trihydroxy-6-[4,5,6-trihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

3,4,5-Trihydroxy-6-[2,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

6-[(3-Carboxy-3-hydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C20H22O15 (502.0959)

6-[1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H22O12 (502.1111)

1-[1-(2-chlorophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-[1,3]thiazolo[4,5-g]indazol-7-yl]-3-(1H-imidazol-2-ylmethyl)urea

C24H19ClN8OS (502.1091)

6-({4,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

6-({4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

3,4,5-Trihydroxy-6-[2,3,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-4-yl]oxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid

C21H26O14 (502.1322)

2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid

C20H22O15 (502.0959)

Penicilin S-oxide

C28H26N2O5S (502.1562)

Fluvalinate

tau-fluvalinate

C26H22ClF3N2O3 (502.1271)

D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals

5-S-glutathionyl-L-DOPA

C19H26N4O10S (502.137)

4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate zwitterion

C17H23N6O10P (502.1213)

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate.

LPI 8:3;O3

C17H27O15P (502.1088)

ST 22:4;O8;S

C22H30O11S (502.1509)

GSK2647544

C24H18ClF3N4O3 (502.1019)

GSK2647544 is an orally available, selective inhibitor of Lp-PLA2. Lipoprotein-associated phospholipase (Lp-PLA2) is a calcium-independent phospholipase A2 with proinflammatory activities that is primarily secreted by monocyte-derived macrophages[1].

3-oxo-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxan-2-yl]methoxy}propanoic acid

C24H22O12 (502.1111)

(1s,3as,4s,6as)-4-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate

C25H26O11 (502.1475)

(1r,3ar,4s,6as)-1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-4-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate

C25H26O11 (502.1475)

7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-11-one

C24H22O12 (502.1111)

3-(3,6-dihydroxy-2-oxo-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dihydro-5h-furo[3,2-b]furan-3-yl)-3-(4-hydroxyphenyl)propanoic acid

C21H26O14 (502.1322)

(2s,3r,4s,5s,6r)-2-{[(3s,4r)-4-ethenyl-8-oxo-3h,4h,6h-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C25H26O11 (502.1475)

7,9,13,20,24,26-hexahydroxynonacyclo[16.12.0.0²,¹⁵.0³,¹².0⁴,²⁹.0⁵,¹⁰.0⁶,²⁷.0²¹,³⁰.0²³,²⁸]triaconta-1(18),2,4(29),5(10),6,8,12,14,19,21(30),23,25,27-tridecaene-11,22-dione

7,9,13,20,24,26-hexahydroxynonacyclo[16.12.0.0²,¹⁵.0³,¹².0⁴,²⁹.0⁵,¹⁰.0⁶,²⁷.0²¹,³⁰.0²³,²⁸]triaconta-1(18),2,4(29),5(10),6,8,12,14,19,21(30),23,25,27-tridecaene-11,22-dione

C30H14O8 (502.0689)

methyl 5-(acetyloxy)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

C24H22O12 (502.1111)

4',6''-diacetyl puerarin

C25H26O11 (502.1475)

{"Ingredient_id": "HBIN010066","Ingredient_name": "4',6''-diacetyl puerarin","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15013","TCMID_id": "5344","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4',6''-diacetyl puerarine

C25H26O11 (502.1475)

{"Ingredient_id": "HBIN010067","Ingredient_name": "4',6''-diacetyl puerarine","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30889","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5,7-dihydroxyflavone; 7-o-(6-o-malonyl-beta-d-glucopyranoside)

C24H22O12 (502.1111)

{"Ingredient_id": "HBIN011308","Ingredient_name": "5,7-dihydroxyflavone; 7-o-(6-o-malonyl-beta-d-glucopyranoside)","Alias": "NA","Ingredient_formula": "C24H22O12","Ingredient_Smile": "NA","Ingredient_weight": "502.42","OB_score": "NA","CAS_id": "162101-61-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7704","PubChem_id": "NA","DrugBank_id": "NA"}

apigenin-7-o-beta-d-glucuronide butyl ester

apigenin-7-o-β-d-glucuronide butyl ester

C25H26O11 (502.1475)

{"Ingredient_id": "HBIN016459","Ingredient_name": "apigenin-7-o-beta-d-glucuronide butyl ester","Alias": "apigenin-7-o-\u03b2-d-glucuronide butyl ester","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CCCCOC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30617;1495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(3,4,5-trihydroxy-6-{[6-hydroxy-7-(1-hydroxypropan-2-yl)-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4(12),5,7,9-pentaen-5-yl]oxy}oxan-2-yl)methoxysulfonic acid

C21H26O12S (502.1145)

2,3-dihydroxy-2,3-bis[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid

C24H22O12 (502.1111)

10,15,16-trihydroxy-3,8-dimethoxy-3-methyl-6,7-dihydro-4h-2-oxahexaphene-1,9,14-trione

C28H22O9 (502.1264)

6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H26O14 (502.1322)

{3,4,5-trihydroxy-6-[(8-hydroxy-2-oxochromen-7-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C24H22O12 (502.1111)

methyl (2s,3s,4s,5s,6s)-5-(acetyloxy)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

C24H22O12 (502.1111)

(4s,11s,18s)-4,18-diisopropyl-11-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol

C22H26N6O4S2 (502.1457)

6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

1,2,3-trihydroxy-3-(hydroxymethyl)-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydro-1h-tetraphene-7,12-dione

C25H26O11 (502.1475)

(2s,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O16 (502.1534)

7,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-2-one

C21H26O14 (502.1322)

(3,4,5-trihydroxy-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxan-2-yl)methyl acetate

C25H26O11 (502.1475)

3-oxo-3-({3,4,5-trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxan-2-yl}methoxy)propanoic acid

C24H22O12 (502.1111)

2',4,4',6,6'-pentakis(acetyloxy)-[1,1'-biphenyl]-2-yl acetate

C24H22O12 (502.1111)

(4s,8r)-16-{[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione

(4s,8r)-16-{[(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,10,14,16,18-hexaene-13,20-dione

C24H22O12 (502.1111)