Exact Mass: 512.1759

Annotation level-3

sialosyl-Tn saccharide

4-Hydroxy-5-[(1-hydroxyethylidene)amino]-2-({3,4,6-trihydroxy-5-[(1-hydroxyethylidene)amino]oxan-2-yl}methoxy)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

Lyalosidic acid

Annotation level-1

Acuminatin

3,5,7-Trihydroxy-4-methoxy-6",6"-dimethylpyrano [ 2",3":7,8 ] flavone 3-rhamnoside

A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.

Naucleoside B

MEGxp0_000010

Carboline metabolite (C26H28N2O9)

Annotation level-3

Littorachalcone

parvistemin D

(1R,2S,4S,4S,6S,7R,8R,9S,10S,11Z,14S,17S*)-14-acetoxy-6-chloro-4,8-epoxy-9,17-dihydroxy-2-propionyloxybriara-5(16),11-dien-18-one

(1R*,2S*,4S*,4S*,6S*,7R*,8R*,9S*,10S*,11Z,14S*,17S*)-14-acetoxy-6-chloro-4,8-epoxy-9,17-dihydroxy-2-propionyloxybriara-5(16),11-dien-18-one

C25H33ClO9 (512.1813)

143601-07-4

SCHEMBL10049875

C26H34Cl2O6 (512.1732)

6-(2,6-dihydroxy-4-methoxy-3-methyl-benzhydryl)-5,7-dihydroxy-8-methyl-2-phenyl-chroman-4-one|isomelanervin

(2RS,3RS)-2,3,4,5-tetrahydro-3-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-10-methoxyphenanthro[2,1-b]furan-7-ol|phochinenin F

araliangine

1beta,9alpha-di(3-furanoyloxy)-8beta-acetoxy-2-oxo-3-enedihydro-beta-agarofuran

tricin 4-O-(erythro-beta-guaiacylglyceryl) ether

mappiodine B 10-O-beta-D-glucoside|mappiodoside B

splenocin D

splenocin A

Melanervin

3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione

C26H34Cl2O6 (512.1732)

3,5-dicaffeoylquinic acid

brownin B

kehokorin A

Ser Tyr Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]pentanedioic acid

Glu Ser Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

Ser Tyr Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]butanedioic acid

C26H28N2O9_14H-Pyrano[3,4:6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)

NCGC00169672-02_C26H28N2O9_14H-Pyrano[3,4:6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)-

Cys Met Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

Cys Met Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Cys Asn Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Cys Asn Tyr Asn

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

Cys Pro Met Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

Cys Pro Tyr Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

Cys Tyr Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Cys Tyr Asn Asn

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

Cys Tyr Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

Asp Asp Thr Tyr

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

Asp Asp Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

Asp Glu Ser Tyr

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

Asp Glu Tyr Ser

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

Asp Ser Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

Asp Ser Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

Asp Thr Asp Tyr

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

Asp Thr Tyr Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

Asp Tyr Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

Asp Tyr Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

Asp Tyr Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]pentanedioic acid

Asp Tyr Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]butanedioic acid

Glu Asp Ser Tyr

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Glu Asp Tyr Ser

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Glu Ser Asp Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

Glu Tyr Asp Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

Glu Tyr Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]butanedioic acid

Met Cys Pro Tyr

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

Met Cys Tyr Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Met Met Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

Met Met Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

Met Pro Cys Tyr

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Met Pro Tyr Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

Met Thr Met Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Met Tyr Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Met Tyr Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Asn Cys Asn Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Asn Cys Tyr Asn

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

Asn Asn Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Asn Asn Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

Asn Tyr Cys Asn

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

Asn Tyr Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

Pro Cys Met Tyr

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

Pro Cys Tyr Met

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

Pro Met Cys Tyr

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

Pro Met Tyr Cys

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

Pro Tyr Cys Met

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

Pro Tyr Met Cys

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

Ser Asp Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

Ser Asp Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

Ser Glu Asp Tyr

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Ser Glu Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

Thr Asp Asp Tyr

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

Thr Asp Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

Thr Met Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Thr Tyr Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]butanedioic acid

Tyr Cys Met Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Tyr Cys Asn Asn

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

Tyr Cys Pro Met

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

Tyr Asp Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

Tyr Asp Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

Tyr Asp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]pentanedioic acid

Tyr Asp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-hydroxybutanamido]butanedioic acid

Tyr Glu Asp Ser

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Tyr Glu Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-hydroxypropanamido]butanedioic acid

Tyr Met Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Tyr Met Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Tyr Asn Cys Asn

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

Tyr Asn Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

Tyr Pro Cys Met

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

Tyr Pro Met Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

Tyr Ser Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]pentanedioic acid

Tyr Ser Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-carboxybutanamido]butanedioic acid

Tyr Thr Asp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-carboxypropanamido]butanedioic acid

10S,11R-epoxy-punaglandin 3

methyl 5S,6S-diacetoxy-9-oxo-10S-chloro-10S,11R-epoxy-12S-hydroxy-7E,14Z,17Z-prostatrienoate-cyclo[8,12R]

C25H33ClO9 (512.1813)

6,6-Dimethylpyraono[2,3:7,8]kaempferol 4-methyl ether 3-rhamnoside

Trp-Trp-OH

(S)-2-(3-(2-(1H-indol-3-yl)ethoxy)-4-nitrobenzamido)-3-(1H-indol-3-yl)propanoic acid

C28H24N4O6 (512.1696)

tricyclohexylphosphine-Au(I)

C18H33AuClP (512.1674)

Guanoxan sulfate

1,1-diethyl-3,3,3,3-tetramethylindocarbocyanine iodide

C27H33IN2 (512.1688)

α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy

BALQ

C32H25AlN2O3 (512.168)

(E)-2-Methyl-4-(4-(2-Methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine

C28H28N6S2 (512.1817)

NeuAc(a2-6)GalNAc

6-O-alpha-Sialyl-2-acetamido-2-deoxy-D-galactopyranoside

Florylpicoxamid

C27H26F2N2O6 (512.1759)

alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll

C20H32O15 (512.1741)

3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

19-Ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione

[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] dihydrogen phosphate

C20H29N6O8P (512.1784)

alvaradoin G

A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.

sialosyl-Tn saccharide

NeuAc(a2-6)b-GlcNAc

dCpdC

C20H29N6O8P (512.1784)

N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine

An amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (2->6).

alpha-Neup5Ac-(2->3)-alpha-D-GalpNAc

NeuAc(a2-6)GlcNAc

NeuAc(b2-6)GalNAc

NeuAc(a2-3)GalNAc

5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose

NeuAc(b2-6)b-GalNAc

NeuAc(a2-3)b-GalNAc

NeuAc(a2-6)b-GalNAc

5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose

3,4,5-trihydroxy-6-[5-methoxy-2,2-dimethyl-6-[(E)-3-oxo-3-phenylprop-1-enyl]chromen-7-yl]oxyoxane-2-carboxylic acid

(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[4-[(E)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-enoyl]phenoxy]oxane-2-carboxylic acid

(2S,3R,4R)-3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine

An amino disaccharide composed of N-acetylneuraminic acid and 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose residues in (alpha-2->6) linkage.

ST 24:5;O7;S

C24H32O10S (512.1716)

methyl 5'-(furan-3-carbonyl)-1',5',8'-trimethyl-5,9'-dioxo-3a-(prop-1-en-2-yl)-6,6a-dihydro-3h-10',11'-dioxaspiro[furo[3,2-b]furan-2,7'-tricyclo[4.4.1.0²,⁸]undecan]-3'-ene-6'-carboxylate

n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-ethyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

9,10-bis(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one

acuminatin ii*

{"Ingredient_id": "HBIN014650","Ingredient_name": "acuminatin ii*","Alias": "NA","Ingredient_formula": "C27H28O10","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=C4C=CC(OC4=CC(=C3C2=O)O)(C)C)C5=CC=C(C=C5)OC)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "593","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(1s,18s,19r,20s)-19-ethenyl-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),4,6,8,15-pentaene-10,14-dione

(1s,18s,19r,20s)-19-ethenyl-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),4,6,8,15-pentaene-10,14-dione

2-[(1s,9r,12r)-5-hydroxy-12-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-9-methyl-8-oxatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-11-yl]benzene-1,3-diol

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-{[(2e)-3-(3,4-dimethylphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid

(4s,5r,6s)-5-ethenyl-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

2-{[12-hydroxy-3,10-dimethoxy-11-(4-methoxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]oxy}-6-methyloxane-3,4,5-triol

4,4'-dihydroxy-6-[2-(2-methoxyphenyl)ethyl]-3,3'-dimethyl-6'-(2-phenylethyl)-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone

19-ethenyl-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),4,6,8,15-pentaene-10,14-dione

2-[(1r,9s,12r)-5-hydroxy-12-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-9-methyl-8-oxatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-11-yl]benzene-1,3-diol

(2s)-6-[(s)-(2,6-dihydroxy-4-methoxy-3-methylphenyl)(phenyl)methyl]-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

19-ethenyl-16-hydroxy-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15-hexaen-14-one

17-ethenyl-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19-oxa-2,12-diazapentacyclo[14.3.1.0²,¹⁴.0⁵,¹³.0⁶,¹¹]icosa-3,5,7,9,11,13-hexaene-20-carboxylic acid

(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-5-methoxyphenyl)-10-methoxy-2h,3h,4h,5h-phenanthro[2,1-b]furan-7-ol

(3r,4as,10ar)-3-chloro-10a-{[(3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2,7-trimethyl-3h,4h,4ah-naphtho[2,3-b]pyran-5,10-dione

C26H34Cl2O6 (512.1732)

2-(acetyloxy)-6-(4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl)-3,5-dihydroxyoxan-4-yl 3-methylbut-2-enoate

5-ethenyl-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

(1s,18r,19r)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,20-hexaen-14-one

(1s,18r,19r)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,20-hexaen-14-one

n-[(2r,3s,6s,7r,8r)-7-(acetyloxy)-8-benzyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

(2r,3r,4r,5s,6r)-2-(acetyloxy)-6-[(9r)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl 3-methylbut-2-enoate

5-ethenyl-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid

12-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]oxolan-2-yl]-15-hydroxy-5-[(1s)-1-hydroxyethyl]-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

12-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]oxolan-2-yl]-15-hydroxy-5-[(1s)-1-hydroxyethyl]-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

methyl (5s,6s)-5,6-bis(acetyloxy)-7-[(1s,3z,4s,5r)-1-chloro-4-hydroxy-4-[(2e,5e)-octa-2,5-dien-1-yl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoate

C25H33ClO9 (512.1813)

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-{[3-(3,4-dimethylphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid

8-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)(phenyl)methyl]-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(2s,3r,4r,5r,6s)-2-(acetyloxy)-6-[(9r)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl 3-methylbut-2-enoate

(18r,19s,20s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15-hexaen-14-one

(18r,19s,20s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15-hexaen-14-one

(5bs,9r,9as,10s)-9,10-bis(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one

2-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-5-methoxyphenyl)-10-methoxy-2h,3h,4h,5h-phenanthro[2,1-b]furan-7-ol

12-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-15-hydroxy-5-(1-hydroxyethyl)-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

(18r,19r,20s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15-hexaen-14-one

(18r,19r,20s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15-hexaen-14-one

(5br,9r,9as,10s)-9,10-bis(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one

(1r,16s,17r,18s,20r)-17-ethenyl-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19-oxa-2,12-diazapentacyclo[14.3.1.0²,¹⁴.0⁵,¹³.0⁶,¹¹]icosa-3,5,7,9,11,13-hexaene-20-carboxylic acid

(1r,16s,17r,18s,20r)-17-ethenyl-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-19-oxa-2,12-diazapentacyclo[14.3.1.0²,¹⁴.0⁵,¹³.0⁶,¹¹]icosa-3,5,7,9,11,13-hexaene-20-carboxylic acid

(1s,18s,19s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,20-hexaen-14-one

(1s,18s,19s)-19-ethenyl-16-hydroxy-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,20-hexaen-14-one

(2s)-8-[(s)-(2,6-dihydroxy-4-methoxy-3-methylphenyl)(phenyl)methyl]-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(2s,3r,4r,5r,6s)-2-(acetyloxy)-6-[(9s)-4,5-dihydroxy-2-methyl-10-oxo-9h-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl 3-methylbut-2-enoate

(2s,3r,4r,5r,6s)-2-{[12-hydroxy-3,10-dimethoxy-11-(4-methoxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]oxy}-6-methyloxane-3,4,5-triol

6-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)(phenyl)methyl]-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(4s,5r,6s)-5-ethenyl-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid