Exact Mass: 518.119988

Exact Mass Matches: 518.119988

Found 270 metabolites which its exact mass value is equals to given mass value 518.119988, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6'-Malonylcosmosiin

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)

Apigenin 7-O-(6-malonyl-beta-D-glucoside) is a member of flavonoids and a glycoside. Apigenin 7-(6-malonylglucoside) is a natural product found in Monarda punctata and Cynara cardunculus with data available. 6-Malonylcosmosiin is found in herbs and spices. 6-Malonylcosmosiin is isolated from Petroselinum crispum (parsley). Isolated from Petroselinum crispum (parsley). 6-Malonylcosmosiin is found in herbs and spices. Apigenin 7-O-malonylglucoside is found in chrysanthemum flowers[1].

6'-Malonylgenistin

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

C24H22O13 (518.1060362000001)

Present in soy foods. Potential nutriceutical. 6-Malonylgenistin is found in many foods, some of which are soy bean, soy sauce, white lupine, and miso. 6-Malonylgenistin is found in miso. 6-Malonylgenistin is present in soy foods. Potential nutriceutica

Esmeraldic acid

C30H22N4O5 (518.1590122)

Medicarpin 3-O-(6'-malonylglucoside)

3-oxo-3-{[3,4,5-trihydroxy-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acid

C25H26O12 (518.1424196)

Medicarpin 3-O-(6-malonylglucoside) is found in alfalfa. Medicarpin 3-O-(6-malonylglucoside) is isolated from Medicago sativa (alfalfa). Isolated from Medicago sativa (alfalfa). Medicarpin 3-O-(6-malonylglucoside) is found in alfalfa and pulses.

Arillatose B

C22H30O14 (518.163548)

Alisertib

4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2,4,6,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoic acid

C27H20ClFN4O4 (518.1157042)

6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide

6-[3-(dimethylcarbamoyl)benzenesulfonyl]-4-[(3-methoxyphenyl)imino]-8-methyl-1,4-dihydroquinoline-3-carboximidic acid

C27H26N4O5S (518.1623826)

6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)

(6-{[2,2-dimethyl-4-(sulfomethyl)-1,2-dihydroquinolin-6-yl]methyl}-2,2-dimethyl-1,2-dihydroquinolin-4-yl)methanesulfonic acid

C25H30N2O6S2 (518.15452)

D020011 - Protective Agents > D000975 - Antioxidants

Setipafant

9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide

C26H23ClN6O2S (518.1291648)

6-O-Glucosylgentiopicroside

(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one

C22H30O14 (518.163548)

6-O-beta-D-Glucosylgentiopicroside is a natural product found in Swertia japonica, Gentiana asclepiadea, and other organisms with data available. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1]. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1].

Sibiricose

(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

C22H30O14 (518.163548)

Sibiricose A5 is a hydroxycinnamic acid. Sibiricose A5 is a natural product found in Polygala arillata, Lilium speciosum, and other organisms with data available. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2]. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2].

Sibiricose A5

(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

C22H30O14 (518.163548)

Apigenin 5-(6-malonylglucoside)

5,7,4-Trihydroxyflavone 5- (6"-malonylglucoside)

C24H22O13 (518.1060362000001)

Genistein 8-C-glucoside 6-O-malonate

5,7,4-Trihydroxyisoflavone 8-C-(6-malonylglucoside)

C24H22O13 (518.1060362000001)

lantanoside

7- [ (6-O-Acetyl-beta-D-glucopyranosyl) oxy ] -5-hydroxy-6-methoxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

C25H26O12 (518.1424196)

6-O-β-D-Glucopyranosylgentiopicroside

6-O-beta-D-glucopyranosyl gentiopicroside

C22H30O14 (518.163548)

6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1]. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1].

4-O-beta-D-glucopyranosylgentiopicroside

(-)-4-O-beta-D-glucopyranosylgentiopicroside

C22H30O14 (518.163548)

Apigenin 7-O-malonylglucoside

Apigenin 7-(6-malonylglucoside)

C24H22O13 (518.1060362000001)

Apigenin 7-O-malonylglucoside is found in chrysanthemum flowers[1].

Apigenin 7- (2'-glucuronosyllactate)

5,7,4-Trihydroxyflavone 7- (2"-glucuronosyllactate)

C24H22O13 (518.1060362000001)

5,6,7-Trihydroxyflavone 7- (6'-malonylglucoside)

5,6,7-Trihydroxyflavone 7- (6"-malonylglucoside)

C24H22O13 (518.1060362000001)

ZINC8649196

C26H26N6O2S2 (518.1558576)

Cephalochromin

C28H22O10 (518.1212912)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

ZINC1048051

C24H27ClN4O5S (518.1390602)

Pelargonidin 3-(6-malonylglucoside)

C24H22O13 (518.1060362000001)

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C21H26O15 (518.1271646)

1,4,8-trihydroxynaphthalene 1-O-beta-D-[6-O-(4-hydroxy-3,5-dimethoxybenzoyl)]glucopyranoside

C25H26O12 (518.1424196)

C22H27ClO12

C22H27ClO12 (518.1190972)

C18H30O17

C18H30O17 (518.148293)

(-)-4beta-(2-hydroxyethylsulfanyl)epicatechin 3-O-gallate

C24H22O11S (518.0882782)

venturamide B

C22H26N6O5S2 (518.1406026000001)

An eighteen-membered homodetic cyclic peptide which is isolated from Oscillatoria sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain of the malarial parasite, Plasmodium falciparum.

beta-D-Mannopyranosyl-(1鈥樏傗垎4)-beta-D-glucopyranosyl-(1鈥樏傗垎4)-D-galactose

C18H30O17 (518.148293)

10-O-coumaroyl-10-O-deacetylasperuloside|[(2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b,-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C25H26O12 (518.1424196)

Tri-Ac -eta-Pyrromycinone

C28H22O10 (518.1212912)

(5aS)-5c,12c-diacetoxy-7a,14a-bis-methylsulfanyl-(5ar,7at,12ac,14at)-5,5a,7a,8,12,12a,14a,15-octahydro-oxepino[3,4:4,5]pyrrolo[1,2:4,5]pyrazino[1,2-a]indole-7,14-dione|acetylapoaranotin|Bis-dethio-7a,14a-di-(methylmercapto)-O-acetyl-apoaranotin|bisdethiobis(methylthio)acetylapoaranotin|Didethiodi(methylthio)acetylapoaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-apoaranotin

(5aS)-5c,12c-diacetoxy-7a,14a-bis-methylsulfanyl-(5ar,7at,12ac,14at)-5,5a,7a,8,12,12a,14a,15-octahydro-oxepino[3,4:4,5]pyrrolo[1,2:4,5]pyrazino[1,2-a]indole-7,14-dione|acetylapoaranotin|Bis-dethio-7a,14a-di-(methylmercapto)-O-acetyl-apoaranotin|bisdethiobis(methylthio)acetylapoaranotin|Didethiodi(methylthio)acetylapoaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-apoaranotin

C24H26N2O7S2 (518.1181366000001)

(+)-fatouain H|(+)-threo-10-(2-hydroxy-1-(8-hydroxy-7-methoxy-2-oxo-[2H]-chromen-6-yl)-3-methylbut-3-enyloxy)-8,8-dimethylpyrano[3,2-g]chromen-2(8H)-one

C29H26O9 (518.1576746000001)

2,6-O-diacetyl-5-hydroxylaloin A

C25H26O12 (518.1424196)

4,4-O-dimethylellagic acid 3-(2-O-acetyl)-alpha-rhamnopyranoside

C24H22O13 (518.1060362000001)

(4R)-9c-acetoxy-9a-hydroxy-4-hydroxymethyl-12,4,4,5xi-tetramethyl-(6ac,8cO,9ac,2rC7)-tetrahydro-spiro[4r,10ac-azaethano-cyclopenta[4,5]pyrrolo[2,1-d][1,2,3,5]trithiazepine-8,2-furan]-5,11,3-trione|(5Xi)-sirodesmin-C|Sirodesmin C

(4R)-9c-acetoxy-9a-hydroxy-4-hydroxymethyl-12,4,4,5xi-tetramethyl-(6ac,8cO,9ac,2rC7)-tetrahydro-spiro[4r,10ac-azaethano-cyclopenta[4,5]pyrrolo[2,1-d][1,2,3,5]trithiazepine-8,2-furan]-5,11,3-trione|(5Xi)-sirodesmin-C|Sirodesmin C

C20H26N2O8S3 (518.0851236)

4,6-O-diacetyl-5-hydroxylaloin A

C25H26O12 (518.1424196)

C21H26O15

C21H26O15 (518.1271646)

beta-Glc-(1-3)-alpha-GalA-(1-3)-Man

C18H30O17 (518.148293)

C25H26O12

C25H26O12 (518.1424196)

5-hydroxy-6-methyl-7-[O-beta-D-glucopyranoside]- 8-aldehydo-3-(3,4-methylenedioxybenzyl)chroman-4-one|ophiopogoside A.

C25H26O12 (518.1424196)

6-O-(E)-cinnamoylixoside|tarenninoside E

C25H26O12 (518.1424196)

quercetin-3-O-alpha-L-3,5-diacetylarabinofuranoside

C24H22O13 (518.1060362000001)

alpha-GlcA-(1<>3)-alpha-Man-(1<>2)-Man|alpha-GlcA-(1[]3)-alpha-Man-(1[]2)-Man

alpha-GlcA-(1<*>3)-alpha-Man-(1<*>2)-Man|alpha-GlcA-(1[*]3)-alpha-Man-(1[*]2)-Man

C18H30O17 (518.148293)

5,7,8-trihydroxycoumarin-5-beta-gentiobioside

C21H26O15 (518.1271646)

6-O-(beta-D-Glucopyranosyluronsaeure)-D-galactopyranosyl-(1->6)-D-galactose|6-O-(beta-D-Glucopyranosyluronsaeure)-D-galaktose|O-beta-D-Glucopyranosyl-uronsaeure-(1 -> 6)-beta-D-galactopyranosyl-(1 -> 6)-D-galactose, D-Glucuronsaeure

6-O-(beta-D-Glucopyranosyluronsaeure)-D-galactopyranosyl-(1->6)-D-galactose|6-O-(beta-D-Glucopyranosyluronsaeure)-D-galaktose|O-beta-D-Glucopyranosyl-uronsaeure-(1 -> 6)-beta-D-galactopyranosyl-(1 -> 6)-D-galactose, D-Glucuronsaeure

C18H30O17 (518.148293)

1,8-dihydroxy-2-O-beta-D-glucopyranoside((1>6) malonyl)-3-methylanthraquinone|kwanzoquinone D

C24H22O13 (518.1060362000001)

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

C25H26O12 (518.1424196)

ianthelliformisamine A

C20H32Br2N4O2 (518.0891852)

bromophycoic acid D

C27H35BrO5 (518.166772)

isodaphneticin 4-O-alpha-D-glucopyranoside

C25H26O12 (518.1424196)

13,15-dihydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol

C21H26O13S (518.1094066)

O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1<>4)-beta-D-galactopyranose|O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1[]4)-beta-D-galactopyranose|O-[6-O-(trans-feruloyl)-beta-D-galactopyranosyl]-(1-4)-D-galactopyranose

O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1<*>4)-beta-D-galactopyranose|O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1[*]4)-beta-D-galactopyranose|O-[6-O-(trans-feruloyl)-beta-D-galactopyranosyl]-(1-4)-D-galactopyranose

C22H30O14 (518.163548)

Benastatin I

C29H26O9 (518.1576746000001)

C22H30O14

C22H30O14 (518.163548)

apigenin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>

C24H22O13 (518.1060362000001)

pinnilidine

C28H22O10 (518.1212912)

(2aR,5S)-5-[(beta-D-glucopyranosyl)oxy]-2a,4a,5,7b-tetrahydro-4-{[(alpha-L-rhamnopyranosyl)oxy]methyl}-1H-2,6-dioxacyclopenta[cd]inden-1-one|teneoside A

C22H30O14 (518.163548)

1(alpha)-O-methyl-2-(N-acetyl)glucosamine-6-O-phosphate-1(alpha)-2-(N-acetyl)glucosamine

C17H31N2O14P (518.1512835999999)

scirpusin C|[(2S,3S)-6,7-dihydroxy-3-(3,5-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-4-(3,5-dihydroxystyryl)-2,3-dihydrobenzofuran]

C28H22O10 (518.1212912)

fargenin A

C24H22O13 (518.1060362000001)

115713-06-9

C22H30O14 (518.163548)

Malonylgenistin

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)

Malonylgenistin is a glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6 has been replaced by a malonyl group. It has a role as a plant metabolite. It is a glycosyloxyisoflavone, a hydroxyisoflavone, a malonate ester, a monosaccharide derivative and a beta-D-glucoside. It is functionally related to a genistein 7-O-beta-D-glucoside. 6-O-Malonylgenistin is a natural product found in Maackia amurensis, Glycine, and other organisms with data available. A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6 has been replaced by a malonyl group.

Anti-inflammatory agent 30

C25H26O12 (518.1424196)

6-Malonyl-3-Glu Medicarpin

C25H26O12 (518.1424196)

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

NCGC00385542-01!3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)

5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

NCGC00180856-03!5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

C28H22O10 (518.1212912)

Malonylgenistin

Genistein 7-O-beta-d-glucoside-6-O-malonate

C24H22O13 (518.1060362000001)

C22H30O14_3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside

NCGC00384564-01_C22H30O14_3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside

C22H30O14 (518.163548)

[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C21H26O15 (518.1271646)

Isoflavone base + 3O, O-MalonylHex

C24H22O13 (518.1060362000001)

Annotation level-3

Flavone base + 3O, O-MalonylHex

C24H22O13 (518.1060362000001)

Annotation level-3

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]

NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]

C21H26O15 (518.1271646)

[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major

C22H30O14 (518.163548)

[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major

C22H30O14 (518.163548)

cephalochromin_major

C28H22O10 (518.1212912)

Cys Cys Phe Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C24H30N4O5S2 (518.165753)

Cys Cys Met Tyr

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

C20H30N4O6S3 (518.13274)

Cys Cys Tyr Met

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

C20H30N4O6S3 (518.13274)

Cys Glu His Met

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

C19H30N6O7S2 (518.161731)

Cys Glu Met His

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

C19H30N6O7S2 (518.161731)

Cys Phe Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C24H30N4O5S2 (518.165753)

Cys Phe Phe Cys

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

C24H30N4O5S2 (518.165753)

Cys His Glu Met

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

C19H30N6O7S2 (518.161731)

Cys His Met Glu

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

C19H30N6O7S2 (518.161731)

Cys Met Cys Tyr

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

C20H30N4O6S3 (518.13274)

Cys Met Glu His

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

C19H30N6O7S2 (518.161731)

Cys Met His Glu

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

C19H30N6O7S2 (518.161731)

Cys Met Tyr Cys

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

C20H30N4O6S3 (518.13274)

Cys Tyr Cys Met

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

C20H30N4O6S3 (518.13274)

Cys Tyr Met Cys

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

C20H30N4O6S3 (518.13274)

Glu Cys His Met

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

C19H30N6O7S2 (518.161731)

Glu Cys Met His

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

C19H30N6O7S2 (518.161731)

Glu His Cys Met

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

C19H30N6O7S2 (518.161731)

Glu His Met Cys

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

C19H30N6O7S2 (518.161731)

Glu Met Cys His

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

C19H30N6O7S2 (518.161731)

Glu Met His Cys

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

C19H30N6O7S2 (518.161731)

Phe Cys Cys Phe

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C24H30N4O5S2 (518.165753)

Phe Cys Phe Cys

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

C24H30N4O5S2 (518.165753)

Phe Phe Cys Cys

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

C24H30N4O5S2 (518.165753)

His Cys Glu Met

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

C19H30N6O7S2 (518.161731)

His Cys Met Glu

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

C19H30N6O7S2 (518.161731)

His Glu Cys Met

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

C19H30N6O7S2 (518.161731)

His Glu Met Cys

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

C19H30N6O7S2 (518.161731)

His Met Cys Glu

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

C19H30N6O7S2 (518.161731)

His Met Glu Cys

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

C19H30N6O7S2 (518.161731)

Met Cys Cys Tyr

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

C20H30N4O6S3 (518.13274)

Met Cys Glu His

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

C19H30N6O7S2 (518.161731)

Met Cys His Glu

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

C19H30N6O7S2 (518.161731)

Met Cys Tyr Cys

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

C20H30N4O6S3 (518.13274)

Met Glu Cys His

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

C19H30N6O7S2 (518.161731)

Met Glu His Cys

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

C19H30N6O7S2 (518.161731)

Met His Cys Glu

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

C19H30N6O7S2 (518.161731)

Met His Glu Cys

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

C19H30N6O7S2 (518.161731)

Met Tyr Cys Cys

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

C20H30N4O6S3 (518.13274)

Tyr Cys Cys Met

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

C20H30N4O6S3 (518.13274)

Tyr Cys Met Cys

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

C20H30N4O6S3 (518.13274)

Tyr Met Cys Cys

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

C20H30N4O6S3 (518.13274)

Genistein 7-O-glucoside-6-malonate

C24H22O13 (518.1060362000001)

Medicarpin 3-O-(6-malonylgluclside)

C25H26O12 (518.1424196)

Pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)

C24H22O13 (518.1060362000001)

6''-Malonylcosmosiin

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

C24H22O13 (518.1060362000001)

Arillatose B

[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

Medicarpin 3-O-glucoside-6-malonate

C25H26O12 (518.1424196)

JM6

C23H26N4O6S2 (518.1293696)

Tetradecamethylcycloheptasiloxane

Tetradecamethyl Cycloheptasiloxane

C14H42O7Si7 (518.1315342)

A macrocyclic organosiloxane composed from seven units of dimethylsiloxane.

Tebipenem Condensation Compound

C23H26N4O6S2 (518.1293696)

GSK256066

6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide

C27H26N4O5S (518.1623826)

D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors

4,4-bis(2-disulfonic acid styryl) biphenyl

C28H22O6S2 (518.0857752000001)

(3Z)-3-(1-AMINOETHYLIDENE)-1-CHLOROPENTANE-2,4-DIONE

C29H28BrO2P (518.1010178)

c.i. 482200

C28H22O6S2 (518.0857752000001)

RAF265 (CHIR-265)

1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

C24H16F6N6O (518.1289718)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor RAF265 is a potent and orally active RAF/VEGFR2 inhibitor.

(3aR,4R,5R,6aS)-4-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl[1,1′-biphenyl]-4-carboxylate

C30H27ClO6 (518.1496072)

Gefitinib dihydrochloride

C22H26Cl3FN4O3 (518.1054428)

2,2-BIS[4-(3-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE

C27H20F6N2O2 (518.1428892)

N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]acetamide

C21H23BrN6O5 (518.0913208)

GI-530159

C27H20F6N2O2 (518.1428892)

Disperse Blue 257

C21H23BrN6O5 (518.0913208)

1,4-bis(bromomethyl)-2,5-dioctoxybenzene

C24H40Br2O2 (518.139486)

2 7-BIS(BROMOMETHYL)-9 9-DIHEXYL-9H-FLU&

C27H36Br2 (518.1183576)

Setipafant

C26H23ClN6O2S (518.1291648)

C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent

6-[[6-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H30O17 (518.148293)

Alisertib

Alisertib (MLN8237)

C27H20ClFN4O4 (518.1157042)

pinillidine

C28H22O10 (518.1212912)

5,7-Dihydroxy-4-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]isoflavone

C24H22O13 (518.1060362000001)

3-[[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-hydroxyquinoline-2-carboxylate

C20H19N6O9P (518.0951094)

(2R)-2-amino-4-[4-[(1R)-2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-1-(dihydroxyamino)-2-oxoethyl]phenoxy]butanoic acid

C23H26N4O10 (518.1648856)

coumaroyl(3-OMe)(-6)Glc(b1-6)b-Glc

C22H30O14 (518.163548)

Scutellarein 6,4-dimethyl ether 7-(6-acetylglucoside)

C25H26O12 (518.1424196)

Tungtungmadic acid

C25H26O12 (518.1424196)

A natural product found in Salicornia herbacea.

3-[2-[(E,3E)-3-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

C24H26N2O5S3 (518.1003786)

2-Hydroxy-3-methoxybenzoic acid [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] ester

C24H23ClN2O7S (518.0914438)

6-O-(trans-feruloyl)-beta-D-galactopyranosyl-(1->4)-D-galactopyranose

C22H30O14 (518.163548)

A disaccharide derivative consisting of two D-galactose residues linked (1->4), feruloylated at O-6 of the residue at the non-reducing end.

Neamine sulfate

C12H30N4O14S2 (518.119988)

beta-D-glucosyl-(1->3)-beta-D-glucuronosyl-(1->4)-beta-D-glucose

C18H30O17 (518.148293)

Indomethacin glucosamide

C25H27ClN2O8 (518.1455852)

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5-adenosine

C17H27N8O9P (518.1638542)

4,5-Dihydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

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

C21H26O15 (518.1271646)

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

C18H30O17 (518.148293)

(2R,9Ra)-5,5,6,6,8,8-hexahydroxy-2,2-dimethyl-2,3-dihydro-4H,4H-[9,9-bibenzo[g]chromene]-4,4-dione

C28H22O10 (518.1212912)

7-MAG

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)

apigenin 7-O-(6-O-malonylglucoside)

C24H22O13 (518.1060362000001)

Ustilaginoidin G

C28H22O10 (518.1212912)

A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one and (6S)-5,6,8-(6S)-5,6,8-trihydroxy-2-methyl-6,9-dihydro-4H-benzo[g]chromen-4-one.

(2s,3s,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

C24H22O13 (518.1060362000001)

[5-(acetyloxy)-3,4-dihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9h-anthracen-9-yl]oxan-2-yl]methyl acetate

C25H26O12 (518.1424196)

(5r,6s)-6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one

C22H30O14 (518.163548)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-[(2s)-1-hydroxypropan-2-yl]-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl]methoxysulfonic acid

C21H26O13S (518.1094066)

[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

{6-[(4,8-dihydroxynaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxy-3,5-dimethoxybenzoate

C25H26O12 (518.1424196)

(5r,6s)-6-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one

C22H30O14 (518.163548)

(1'r,2s,3's,4's,5r,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.0¹,⁸.0³,⁷]pentadecan]-4'-yl acetate

(1'r,2s,3's,4's,5r,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.0¹,⁸.0³,⁷]pentadecan]-4'-yl acetate

C20H26N2O8S3 (518.0851236)

[(2r,3s,4r,5r,6s)-3-(acetyloxy)-4,5-dihydroxy-6-[(9r)-1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9h-anthracen-9-yl]oxan-2-yl]methyl acetate

C25H26O12 (518.1424196)

(2s,3s,4s,5r)-3-(acetyloxy)-5-hydroxy-2-{[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy}oxan-4-yl acetate

C24H22O13 (518.1060362000001)

(5r,6s)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,5h,6h-pyrano[3,4-c]pyran-1-one

C22H30O14 (518.163548)

[3-(acetyloxy)-5-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4-hydroxyoxolan-2-yl]methyl acetate

C24H22O13 (518.1060362000001)

8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one

C22H30O14 (518.163548)

(3r)-3-(2h-1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-methyl-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-8-carbaldehyde

C25H26O12 (518.1424196)

[(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

4'-o-β-d-glucopyranosylgentiopicroside

C22H30O14 (518.163548)

{"Ingredient_id": "HBIN010746","Ingredient_name": "4'-o-\u03b2-d-glucopyranosylgentiopicroside","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15616","TCMID_id": "8634","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6'-o-β-d-glucopyranosylgentiopicroside

C22H30O14 (518.163548)

{"Ingredient_id": "HBIN012642","Ingredient_name": "6'-o-\u03b2-d-glucopyranosylgentiopicroside","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15617","TCMID_id": "8635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

arillanin b

C22H30O14 (518.163548)

{"Ingredient_id": "HBIN016742","Ingredient_name": "arillanin b","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

arillatose b

C22H30O14 (518.163548)

{"Ingredient_id": "HBIN016745","Ingredient_name": "arillatose b","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O","Ingredient_weight": "518.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113913","DrugBank_id": "NA"}

2-(hydroxymethyl)-3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one

C25H26O12 (518.1424196)

methyl 4,5',9-trihydroxy-3,4',8-trioxospiro[indeno[1,2-a]phenalene-7,1'-naphthalene]-7a-carboxylate

C31H18O8 (518.1001628)

3-({6-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

C24H26N2O7S2 (518.1181366000001)

[(2s,3r,4r,5s)-3-(acetyloxy)-5-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4-hydroxyoxolan-2-yl]methyl acetate

C24H22O13 (518.1060362000001)

3-(2h-1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-methyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-8-carbaldehyde

C25H26O12 (518.1424196)

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

C24H22O13 (518.1060362000001)

3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.0¹,⁸.0³,⁷]pentadecan]-4'-yl acetate

C20H26N2O8S3 (518.0851236)

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

C18H30O17 (518.148293)

(2s,3r,4r,5s,6s)-2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methylpropanoate

C25H26O12 (518.1424196)

(3r,4r,5s,6s)-3,4,5-trihydroxy-6-[(1-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-1-oxopropan-2-yl)oxy]oxane-2-carboxylic acid

C24H22O13 (518.1060362000001)

3-{[(2r,3s,4s,5r,6s)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

3-{[(2r,3s,4r,5r,6s)-6-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

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

C25H26O12 (518.1424196)

6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

C28H22O10 (518.1212912)

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

C21H26O15 (518.1271646)

(1r,4s,5s,11r,14s,15s)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

C24H26N2O7S2 (518.1181366000001)

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

C24H22O13 (518.1060362000001)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl acetate

C25H26O12 (518.1424196)

4-(acetyloxy)-5-hydroxy-2-{[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy}oxan-3-yl acetate

C24H22O13 (518.1060362000001)

n-[(2s,3r,4r,5s,6r)-6-[({[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy(hydroxy)phosphoryl}oxy)methyl]-4,5-dihydroxy-2-methoxyoxan-3-yl]ethanimidic acid

C17H31N2O14P (518.1512835999999)

3-({6-[(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

n-(6-{[({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy(hydroxy)phosphoryl)oxy]methyl}-4,5-dihydroxy-2-methoxyoxan-3-yl)ethanimidic acid

C17H31N2O14P (518.1512835999999)

(5-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)

(4r,7s,8s,11s)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one

(4r,7s,8s,11s)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one

C22H30O14 (518.163548)

6-[(1s,2r)-1-({2,2-dimethyl-8-oxopyrano[3,2-g]chromen-10-yl}oxy)-2-hydroxy-3-methylbut-3-en-1-yl]-8-hydroxy-7-methoxychromen-2-one

C29H26O9 (518.1576746000001)

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

[(2r,3s,4s,5r,6r)-6-{[(2r,3r,4r,5s)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

(2s,3r,4s,5r,6s)-3,5-dihydroxy-6-{[(2s,3s,4r,5r)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy}-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C18H30O17 (518.148293)

3,5-bis(acetyloxy)-2-[3,4,5-tris(acetyloxy)phenoxy]phenyl acetate

C24H22O13 (518.1060362000001)

6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

C28H22O10 (518.1212912)

(5-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)

(6-{[(2s)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C22H30O14 (518.163548)

(3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl)methoxysulfonic acid

C21H26O13S (518.1094066)

(2r)-5,6,8-trihydroxy-2-methyl-9-[(2r)-5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]-2h,3h-naphtho[2,3-b]pyran-4-one

C28H22O10 (518.1212912)

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

C24H22O13 (518.1060362000001)

(3s)-3-(2h-1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-methyl-4-oxo-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-8-carbaldehyde

C25H26O12 (518.1424196)

(4r,11r,18r)-11-[(1r)-1-hydroxyethyl]-18-isopropyl-4,7-dimethyl-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

(4r,11r,18r)-11-[(1r)-1-hydroxyethyl]-18-isopropyl-4,7-dimethyl-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

C22H26N6O5S2 (518.1406026000001)

11-(1-hydroxyethyl)-18-isopropyl-4,7-dimethyl-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

C22H26N6O5S2 (518.1406026000001)

5,6,8-trihydroxy-2-methyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one

C28H22O10 (518.1212912)

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

C24H22O13 (518.1060362000001)

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

C18H30O17 (518.148293)

6-[1-({2,2-dimethyl-8-oxopyrano[3,2-g]chromen-10-yl}oxy)-2-hydroxy-3-methylbut-3-en-1-yl]-8-hydroxy-7-methoxychromen-2-one

C29H26O9 (518.1576746000001)

(2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate

C25H26O12 (518.1424196)

3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1r,10r)-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-5-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C25H26O12 (518.1424196)

[(4s,7s,8s,11s)-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C25H26O12 (518.1424196)

(1s,2r,3s)-3-(3,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(s)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-2,3-dihydro-1h-indene-4,6-diol

C29H26O9 (518.1576746000001)

5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl (2r)-2-[(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carbonyloxy]propanoate

C24H22O13 (518.1060362000001)

(5-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)

3-({6-[(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

C24H22O13 (518.1060362000001)

[(2r,3s,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-[(9r)-1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9h-anthracen-9-yl]oxan-2-yl]methyl acetate

C25H26O12 (518.1424196)

2-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methylpropanoate

C25H26O12 (518.1424196)

(2s,3s)-2-(hydroxymethyl)-3-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one

C25H26O12 (518.1424196)

(1'r,2r,3's,4's,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.0¹,⁸.0³,⁷]pentadecan]-4'-yl acetate

(1'r,2r,3's,4's,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.0¹,⁸.0³,⁷]pentadecan]-4'-yl acetate

C20H26N2O8S3 (518.0851236)