Exact Mass: 502.0739

6'-O-Malonyldaidzin

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.

SCHEMBL5184816

C12H24O17P2 (502.0489)

Garciduol B

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.

Puerarin 6-O-malonate

C24H22O12 (502.1111)

Haematocin

C24H26N2O6S2 (502.1232)

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

C24H22O12 (502.1111)

Difucol hexa-acetate

C24H22O12 (502.1111)

Bazzanin K

C29H20Cl2O4 (502.0739)

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

C24H22O12 (502.1111)

SCHEMBL13922309

C31H18O7 (502.1052)

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

C24H22O12 (502.1111)

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

C24H22O12 (502.1111)

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

C24H22O12 (502.1111)

NSC25298

C21H26O12S (502.1145)

Laurencianol

C19H33Br2ClO3 (502.0485)

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

C21H26O12S (502.1145)

Ethyliden-6,6-bis(2,3,7-trihydroxynaphthazarin)

C22H14O14 (502.0384)

C22H14O14

C22H14O14 (502.0384)

Isoflavone base + 2O, O-MalonylHex

C24H22O12 (502.1111)

Annotation level-3

Cys Cys Asp Tyr

C19H26N4O8S2 (502.1192)

Cys Cys Tyr Asp

C19H26N4O8S2 (502.1192)

Cys Asp Cys Tyr

C19H26N4O8S2 (502.1192)

Cys Asp Tyr Cys

C19H26N4O8S2 (502.1192)

Cys Tyr Cys Asp

C19H26N4O8S2 (502.1192)

Cys Tyr Asp Cys

C19H26N4O8S2 (502.1192)

Asp Cys Cys Tyr

C19H26N4O8S2 (502.1192)

Asp Cys Tyr Cys

C19H26N4O8S2 (502.1192)

Asp Tyr Cys Cys

C19H26N4O8S2 (502.1192)

Tyr Cys Cys Asp

C19H26N4O8S2 (502.1192)

Tyr Cys Asp Cys

C19H26N4O8S2 (502.1192)

Tyr Asp Cys Cys

C19H26N4O8S2 (502.1192)

Garciduol B

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)

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

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

C24H24Cl2N4O4 (502.1175)

Malonyldaidzin

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)

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)

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)

4-Chloro-3-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H14ClF3N2O3S (502.0366)

[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)

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

C23H22N2O7S2 (502.0868)

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)

beta-D-Galp3S-(1->4)-beta-D-Glcp6S

C12H22O17S2 (502.0298)

A glycosylglucose derivative that is beta-lactose bearing two sulfo substituents at position 3 of the galactosyl residue and position 6 of the glucose.

beta-D-Galp6S-(1->4)-beta-D-Glcp6S

C12H22O17S2 (502.0298)

A glycosylglucose derivative that consists of 6-sulfated beta-D-glucose having a 6-sulfated beta-D-galactosyl residue attached at position 4.

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.

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-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)

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

C20H22O15 (502.0959)

bis(1L-myo-inositol) 3,1-phosphate 1-phosphate

C12H24O17P2 (502.0489)

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)

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].

SMS1-IN-1

C23H23BrN2O4S (502.0562)

SMS1-IN-1, compound SAPA 1j, is a novel and the most potent sphingomyelin synthase 1 (SMS1) inhibitor with an IC50 value of 2.1 μM. SMS1-IN-1 has the potential for the treatment of atherosclerosis[1].

2,3,5,6,8-pentahydroxy-7-[1-(1,3,4,6,7-pentahydroxy-5,8-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione

C22H14O14 (502.0384)

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)

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)

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)

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"}

(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)

4-bromo-2-{2-[3-bromo-6-(2-chloro-1-hydroxyethyl)-2,6-dimethyloxan-2-yl]ethyl}-3,3-dimethylcyclohexan-1-ol

C19H33Br2ClO3 (502.0485)

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

C24H22O12 (502.1111)

[(1s)-2-(3,5-dibromo-4-methoxyphenyl)-1-{[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]trimethylazanium

[C18H26Br2N5O2]+ (502.0453)

{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)

2,5,6,7,8-pentahydroxy-3-[1-(3,5,6,7,8-pentahydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione

C22H14O14 (502.0384)

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)

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

C24H22O12 (502.1111)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({6-hydroxy-7-[(2s)-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)

4,5-dihydroxy-6-{[5-(4-hydroxy-2-oxopyrimidin-1-yl)-4-(c-hydroxycarbonimidoyloxy)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C18H22N4O13 (502.1183)

10,23-dichloro-16-methoxyhexacyclo[13.9.3.1²,⁶.0⁹,¹⁴.0¹⁸,²⁶.0²¹,²⁵]octacosa-1(24),2(28),3,5,9,11,13,15(27),16,18(26),19,21(25),22-tridecaene-3,13,24-triol

C29H20Cl2O4 (502.0739)

(1r,4s,5s,11r,14s,15s)-15-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,8,16,18-tetraen-5-yl acetate

C24H26N2O6S2 (502.1232)

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

C24H22O12 (502.1111)

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

C24H22O12 (502.1111)

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

C24H22O12 (502.1111)

16-{[5-(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)

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

C24H22O12 (502.1111)

(1r,2r,4r)-4-bromo-2-{2-[(2s,3r,6s)-3-bromo-6-[(1s)-2-chloro-1-hydroxyethyl]-2,6-dimethyloxan-2-yl]ethyl}-3,3-dimethylcyclohexan-1-ol

C19H33Br2ClO3 (502.0485)

15-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,8,16,18-tetraen-5-yl acetate

C24H26N2O6S2 (502.1232)

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

C24H22O12 (502.1111)