Exact Mass: 502.1457

Exact Mass Matches: 502.1457

Found 476 metabolites which its exact mass value is equals to given mass value 502.1457, 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

Limonexic acid

19-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

C26H30O10 (502.1839)

Constituent of Citrus subspecies Limonexic acid is found in sweet orange and citrus. Limonexic acid is found in citrus. Limonexic acid is a constituent of Citrus species

Isoglobotriaose

(2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

C19H34O15 (502.1898)

Isoglobotriaose is a glycosphingolipid found in mammalian tissues; nonepithelial residue in the intestine, spleen, and spleen microsomes. (PMID: 7053385, 893368, 4690582). Globotriaosylceramide receptors bind to Verotoxin 1 (VT1) B subunits from Escherichia coli eliciting human vascular disease as a consequence of specific binding to these receptors on endothelial cell surfaces. (PMID: 10361298, 10353828). Globotriaosylceramides accumulate in patients with Fabry disease. Fabry disease is a X-linked metabolic disorder caused by a deficiency of alpha-galactosidase leading to the systemic accumulation of glycosphingolipids with alpha-galactosyl moieties; glycolipid deposition in endothelial cells leads to renal failure and cardiac and cerebrovascular disease. (PMID: 10339603). Isoglobotriaose is a glycosphingolipid found in mammalian tissues; nonepithelial residue in the intestine, spleen, and spleen microsomes. (PMID: 7053385, 893368, 4690582)

Clozapine glucuronide

(2R,3R,4R,5S,6S)-6-[6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H27ClN4O6 (502.1619)

Clozapine glucuronide is a metabolite of clozapine. Clozapine (sold as Clozaril, Gen-Clozapine in Canada, Azaleptin, Leponex, Fazaclo, Froidir; Denzapine, Zaponex in the UK; Klozapol in Poland, Clopine in Australia and New Zealand) is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also used off-label in the treatment of bipolar disorder. Wyatt. R and Chew. (Wikipedia)

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

Ac-DEVD-CHO

4-[(2-Acetamido-3-carboxypropanoyl)amino]-5-[[1-[(1-carboxy-3-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C20H30N4O11 (502.1911)

Adozelesin

N-(2-{3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-triene-10-carbonyl}-1H-indol-5-yl)-1-benzofuran-2-carboxamide

C30H22N4O4 (502.1641)

Inolitazone

5-[(4-{[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-1,3-benzodiazol-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

C27H26N4O4S (502.1675)

C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D000970 - Antineoplastic Agents

2-[4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide

2-{4-[2-(1H-1,3-benzodiazol-2-ylsulphanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulphanyl)pyridin-3-yl]ethanimidic acid

C23H30N6OS3 (502.1643)

D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors

(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)

Asp f I

1-hydroxy-2,2-dimethyl-4-[2-(2-methylpropanoyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-1,2,3,9a-tetrahydrospiro[imidazolidino[1,2-a]indole-9,2-oxolane]-3,5-dione

C27H26N4O6 (502.1852)

Flavaprin

5,7,4-Trihydroxy-8-C-prenylflavanone 7-glucoside

C26H30O10 (502.1839)

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)

Demethoxyisogemichalcone C

3- (4-Coumaroyloxy-3-methylbutyl-2 (E) -enyl) -2,4,2,4-tetrahydroxychalcone

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)

Bis-((E)-4-hydroxy-3,5-dimethoxy-benzyliden)-bernsteinsaeure-diaethylester|bis-((E)-4-hydroxy-3,5-dimethoxy-benzylidene)-succinic acid diethyl ester|diethyl (E,E)-2,3-bis(3,5-dimethoxy-4-hydroxybenzylidene)succinate|Phebalarin

Bis-((E)-4-hydroxy-3,5-dimethoxy-benzyliden)-bernsteinsaeure-diaethylester|bis-((E)-4-hydroxy-3,5-dimethoxy-benzylidene)-succinic acid diethyl ester|diethyl (E,E)-2,3-bis(3,5-dimethoxy-4-hydroxybenzylidene)succinate|Phebalarin

C26H30O10 (502.1839)

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)

mersiloscine

C24H26N2O10 (502.1587)

Sibirioside B

C22H30O13 (502.1686)

1-O-(4-Caffeoyl)-beta-glucopyranosyl-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene|1-O-(4-O-caffeoyl)-beta-glucopyranosyl-2-(3,3-dimethylallyl) hydroquinone|1-O-(4-O-caffeoyl-beta-glucopyranosyl)-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene

Massonianoid A

C26H30O10 (502.1839)

Isolimonexin

p-Hydroxycarvedilol sulfate

C24H26N2O8S (502.141)

(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)

3-CHLORO-8β-HYDROXYCARAPIN, 3,8-HEMIACETAL

C27H31ClO7 (502.1758)

N-Ac-Asp-Glu-Val-Asp-CHO

N-acetyl-L-α-aspartyl-L-α-glutamyl-N-(2-carboxyl-1-formylethyl)-L-valinamide

C20H30N4O11 (502.1911)

Isoglobotriaose

O-alpha-delta-Galactopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-glucose

C19H34O15 (502.1898)

Limonexin

19-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7}.0^{2,10}.0^{14,16}.0^{14,20}]docosane-5,12,17-trione

C26H30O10 (502.1839)

Netropsin dihydrochloride

C18H28Cl2N10O3 (502.1723)

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

C25H27BrO6 (502.0991)

Ac-DEVD-CHO

Ac-Asp-Glu-Val-Asp-aldehyde (pseudo acid)

C20H30N4O11 (502.1911)

D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors Ac-DEVD-CHO is a specific Caspase-3 inhibitor with a Ki value of 230 pM.

1-[5-Chloro-2-(trifluoromethyl)benzyl]-7-[6-(4-methyl-1-piperazin yl)-3-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

C25H26ClF3N6 (502.1859)

PROTAC Linker 16

C22H30O9S2 (502.1331)

congocidine

C18H28Cl2N10O3 (502.1723)

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

4-METHOXYPHENYL 2,4,6-TRI-O-ACETYL-3-O-BENZYL-BETA-D-GLUCOPYRANOSIDE

C26H30O10 (502.1839)

3-6-Dehydro Clindamycin 2-Phosphate

C18H32ClN2O8PS (502.1305)

9-Nitro Minocycline Sulfate Salt (85\\%)

C23H26N4O9 (502.17)

Clozapine-5-N-Glucuronide

C24H27ClN4O6 (502.1619)

Phenyl 3,6-diazido-3,6-dideoxy-2,4-bis-O-(phenylmethyl)-1-thio-beta-D-glucopyranoside

C26H26N6O3S (502.1787)

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)

amicoumacin A 2-phosphate

C20H29N3O10P- (502.159)

Deoxytryptoquialanine

C27H26N4O6 (502.1852)

amicoumacin B 2-phosphate

C20H27N2O11P-2 (502.1352)

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

C23H26N4O9 (502.17)

Clozapine glucuronide

C24H27ClN4O6 (502.1619)

(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)

abacopterin B

C26H30O10 (502.1839)

An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 3-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.

abacopterin A

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

C17H23N6O10P (502.1213)

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)

ST 23:3;O7;S

C23H34O10S (502.1873)

Arg-AMS

C16H26N10O7S (502.1707)

Arg-AMS (compound 24) is a potent nanomolar inhibitor of arginyl tRNA synthetase, which displays tightly bound inhibitory characteristics for the A-domains in non-ribosomal peptide synthetases (NRPS) enzymes[1].

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].

Naporafenib

C25H25F3N4O4 (502.1828)

Naporafenib (LXH254) is a potent, selective, orally active, type II BRAF and CRAF inhibitor, with IC50 values of 0.072 and 0.21 nM against CRAF and BRAF, respectively[1][2].

methyl (1s,2s,10r,12r,13s,15s,18s,19s,20r,21r)-12-hydroxy-7,7,13,18,21-pentamethyl-5,17-dioxo-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8-diene-20-carboxylate

(2r)-phellodensin f

C26H30O10 (502.1839)

{"Ingredient_id": "HBIN006550","Ingredient_name": "(2r)-phellodensin f","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17060","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}

(2R)-phellodensin-F

C26H30O10 (502.1839)

{"Ingredient_id": "HBIN006551","Ingredient_name": "(2R)-phellodensin-F","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}

3'-[γ-hydroxymethyl-(e)-γ-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate

C29H26O8 (502.1628)

{"Ingredient_id": "HBIN009772","Ingredient_name": "3'-[\u03b3-hydroxymethyl-(e)-\u03b3-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate","Alias": "NA","Ingredient_formula": "C29H26O8","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10505","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

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)

C28H22O9 (502.1264)

19,21-dimethyl (2r,4s,9r,21r,22r,23r,25r)-21,22,23-trihydroxy-3,14,16-trioxa-6,19-diazaoctacyclo[18.2.2.1¹,⁶.0²,⁴.0⁹,²⁰.0¹⁰,¹⁸.0¹³,¹⁷.0⁹,²⁵]pentacosa-10(18),11,13(17)-triene-19,21-dicarboxylate

19,21-dimethyl (2r,4s,9r,21r,22r,23r,25r)-21,22,23-trihydroxy-3,14,16-trioxa-6,19-diazaoctacyclo[18.2.2.1¹,⁶.0²,⁴.0⁹,²⁰.0¹⁰,¹⁸.0¹³,¹⁷.0⁹,²⁵]pentacosa-10(18),11,13(17)-triene-19,21-dicarboxylate

C24H26N2O10 (502.1587)

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)

1,4-diethyl (2e,3e)-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]butanedioate

C26H30O10 (502.1839)

(9s,9as,11'r,15'r)-1,15'-dihydroxy-2,2,16',16'-tetramethyl-9ah-14'-oxa-2',10'-diazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1',3',5',7'-tetraene-3,9',17'-trione

methyl 4-[(1r,2r,3s,4r,5s,9r)-3,4,5-trihydroxy-5-[(1s)-1-hydroxyethyl]-8,8-dimethyl-6,17-dioxo-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-11,13,15(18)-trien-16-yl]butanoate

methyl 4-[(1r,2r,3s,4r,5s,9r)-3,4,5-trihydroxy-5-[(1s)-1-hydroxyethyl]-8,8-dimethyl-6,17-dioxo-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-11,13,15(18)-trien-16-yl]butanoate

C25H30N2O9 (502.1951)

(2s,3s)-4-(acetyloxy)-2,3-bis[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]butyl acetate

C26H30O10 (502.1839)

(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)

(11r,13s)-3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(22),2(10),3,8,15,17(21)-hexaen-11-yl benzoate

C29H26O8 (502.1628)

(1r,2r,7s,10r,13r,14r,16s,19r,20s)-19-(5-hydroxy-2-oxo-5h-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

C26H30O10 (502.1839)

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

C25H26O11 (502.1475)

[(6s,7r,8r)-7-[(acetyloxy)methyl]-8-(4-hydroxy-3,5-dimethoxyphenyl)-9-methoxy-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-6-yl]methyl acetate

C26H30O10 (502.1839)

[(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)

(7s,8s,11s,13s,16s)-7-bromo-22-hydroxy-8,13-dimethyl-4-methylidene-16-(prop-1-en-2-yl)-12,17-dioxatetracyclo[17.3.1.0³,⁸.0¹¹,¹³]tricosa-1(23),19,21-trien-18-one

C27H35BrO4 (502.1719)

11,12-dimethyl (1r,12s,13r,16s,19r,24r,25s)-12,25-dihydroxy-17-oxo-6,8,18-trioxa-11,21-diazaheptacyclo[14.7.1.1¹⁶,¹⁹.0¹,¹³.0²,¹⁰.0⁵,⁹.0²¹,²⁴]pentacosa-2(10),3,5(9)-triene-11,12-dicarboxylate

2,5-dihydroxy-3,6-bis({6-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl})cyclohexa-2,5-diene-1,4-dione

C32H26N2O4 (502.1892)

methyl (1s,2s,4r,6s,12r,13r,15r,18r,20r,22r)-2,7,7,15,20-pentamethyl-9,16,21-trioxo-5,8,17,19-tetraoxaspiro[hexacyclo[13.6.1.0²,¹³.0⁴,⁶.0⁶,¹¹.0¹⁸,²²]docosane-12,2'-oxiran]-10-ene-1-carboxylate

methyl (1s,2s,4r,6s,12r,13r,15r,18r,20r,22r)-2,7,7,15,20-pentamethyl-9,16,21-trioxo-5,8,17,19-tetraoxaspiro[hexacyclo[13.6.1.0²,¹³.0⁴,⁶.0⁶,¹¹.0¹⁸,²²]docosane-12,2'-oxiran]-10-ene-1-carboxylate

C26H30O10 (502.1839)

methyl (1s,10r,12s,13s,15r,18r,19s,20r,21s)-12,19-dihydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosa-3,8-diene-20-carboxylate

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)

(4'r,9s,9as)-1-hydroxy-2,2-dimethyl-4'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolane]-3,5'-dione

C27H26N4O6 (502.1852)

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)