Exact Mass: 502.1169946
Exact Mass Matches: 502.1169946
Found 253 metabolites which its exact mass value is equals to given mass value 502.1169946,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6'-O-Malonyldaidzin
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
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
beta-Fabatriose
tau-fluvalinate
CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5116; ORIGINAL_PRECURSOR_SCAN_NO 5114 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5808; ORIGINAL_PRECURSOR_SCAN_NO 5805 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5095; ORIGINAL_PRECURSOR_SCAN_NO 5094 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5162; ORIGINAL_PRECURSOR_SCAN_NO 5161 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5136; ORIGINAL_PRECURSOR_SCAN_NO 5134 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5838; ORIGINAL_PRECURSOR_SCAN_NO 5836
Garciduol B
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.
Clozapine glucuronide
C24H27ClN4O6 (502.16190320000004)
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
C19H26N4O10S (502.1369576000001)
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
Adozelesin
2-[4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
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 (502.13943720000003)
Apigenin 7-(2-acetyl-6-methylglucuronide)
Demethoxyisogemichalcone C
1-O-(E)-p-coumaroyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-p-coumaroyl-[beta-(1->2)-glucuronosyl]-beta-glucose
apigenin 7-O-beta-D-glucuronopyranoside butyl ester|Apigenin-7-O-??-D-glucuronide butyl ester
C25H26O11 (502.14750460000005)
9,10-Anthracenedione, 8-[[6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-1-hydroxy-3-methyl-
6,7-(di-beta-D-glucopyranosyloxy)-2H-1-benzopyran-2-one|6,7-di-O-beta-D-glucopyranosylesculetin|6,7-di-O-glucopyranosylaesculetin
8-acetoxy-2,2,6-trimethoxy-3,4,4,5-methylenedioxyphenyl-7,7-dioxabicyclo[3.3.0]octane
C25H26O11 (502.14750460000005)
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(4-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
C25H26O11 (502.14750460000005)
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(6-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
C25H26O11 (502.14750460000005)
apigenin-7-O-(6-butyryl-beta-glucopyranoside)
C25H26O11 (502.14750460000005)
7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl-8-hydroxy-6-methoxycoumarin|nitensoside A
Di-O-beta-D-glucopyranoside3,7-Dihydroxy-4H-1-benzopyran-4-one
7-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-8-hydroxycoumarin
3-[??-Hydroxymethyl-(E)-??-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-coumarate|isogemichalcone B
13-hydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol
C21H26O12S (502.11449160000006)
Cys Cys Asp Tyr
Cys Cys Phe Met
Cys Cys Met Phe
Cys Cys Tyr Asp
Cys Asp Cys Tyr
Cys Asp Glu His
Cys Asp His Glu
Cys Asp Tyr Cys
Cys Glu Asp His
Cys Glu His Asp
Cys Phe Cys Met
Cys Phe Met Cys
Cys His Asp Glu
Cys His Glu Asp
Cys Met Cys Phe
Cys Met Phe Cys
Cys Met Ser Tyr
Cys Met Tyr Ser
Cys Ser Met Tyr
Cys Ser Tyr Met
Cys Tyr Cys Asp
Cys Tyr Asp Cys
Cys Tyr Met Ser
Cys Tyr Ser Met
Asp Cys Cys Tyr
Asp Cys Glu His
Asp Cys His Glu
Asp Cys Tyr Cys
Asp Glu Cys His
Asp Glu His Cys
Asp His Cys Glu
Asp His Glu Cys
Asp Tyr Cys Cys
Glu Cys Asp His
Glu Cys His Asp
Glu Asp Cys His
Glu Asp His Cys
Glu His Cys Asp
Glu His Asp Cys
Phe Cys Cys Met
Phe Cys Met Cys
Phe Met Cys Cys
His Cys Asp Glu
His Cys Glu Asp
His Asp Cys Glu
His Asp Glu Cys
His Glu Cys Asp
His Glu Asp Cys
Met Cys Cys Phe
Met Cys Phe Cys
Met Cys Ser Tyr
Met Cys Tyr Ser
Met Phe Cys Cys
Met Ser Cys Tyr
Met Ser Tyr Cys
Met Tyr Cys Ser
Met Tyr Ser Cys
Ser Cys Met Tyr
Ser Cys Tyr Met
Ser Met Cys Tyr
Ser Met Tyr Cys
Ser Tyr Cys Met
Ser Tyr Met Cys
Tyr Cys Cys Asp
Tyr Cys Asp Cys
Tyr Cys Met Ser
Tyr Cys Ser Met
Tyr Asp Cys Cys
Tyr Met Cys Ser
Tyr Met Ser Cys
Tyr Ser Cys Met
Tyr Ser Met Cys
Garciduol B
1,3-Benzodithiol-2-yltriphenyl phosphonium tetrafluoroborate
3,5-Bis(3,5-dimethoxybenzyloxy)benzyl Bromide
C25H27BrO6 (502.09909020000003)
Spirapril hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3-6-Dehydro Clindamycin 2-Phosphate
C18H32ClN2O8PS (502.13054320000003)
Tafamidis meglumine
C21H24Cl2N2O8 (502.09096439999996)
C87006 - Pharmacological Chaperone
Fisogatinib
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 (502.10869979999995)
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 (502.1369576000001)
Bis[5-chloro-1H-indol-2-YL-carbonyl-aminoethyl]-ethylene glycol
1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane
C19H26N4O10S (502.1369576000001)
Malonyldaidzin
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 (502.11998520000003)
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
(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 (502.13943720000003)
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
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
C22H22F4N2O5S (502.11854900000003)
N-[[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[6-(DNCP-amino)hexanoyl]-beta-D-glucosamine
C19H26N4O12 (502.15471560000003)
4-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
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
4-Demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate
A ribonucleoside 5-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase.
sodium[alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone]
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
6-({3,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[4,5,6-trihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
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 (502.09586620000005)
6-[1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
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 (502.10909940000005)
6-({4,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,3,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-4-yl]oxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid
C20H22O15 (502.09586620000005)
Fluvalinate
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate zwitterion
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.
GSK2647544
GSK2647544 is an orally available, selective inhibitor of Lp-PLA2. Lipoprotein-associated phospholipase (Lp-PLA2) is a calcium-independent phospholipase A2 with proinflammatory activities that is primarily secreted by monocyte-derived macrophages[1].
3,22-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
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
(1s,3as,4s,6as)-4-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
C25H26O11 (502.14750460000005)
(1r,3ar,4s,6as)-1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-4-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
C25H26O11 (502.14750460000005)
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
3-(3,6-dihydroxy-2-oxo-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dihydro-5h-furo[3,2-b]furan-3-yl)-3-(4-hydroxyphenyl)propanoic acid
(2s,3r,4s,5s,6r)-2-{[(3s,4r)-4-ethenyl-8-oxo-3h,4h,6h-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
C25H26O11 (502.14750460000005)
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
methyl 5-(acetyloxy)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate
3'-[γ-hydroxymethyl-(e)-γ-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate
{"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 (502.14750460000005)
{"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 (502.14750460000005)
{"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)
{"Ingredient_id": "HBIN011308","Ingredient_name": "5,7-dihydroxyflavone; 7-o-(6-o-malonyl-beta-d-glucopyranoside)","Alias": "NA","Ingredient_formula": "C24H22O12","Ingredient_Smile": "NA","Ingredient_weight": "502.42","OB_score": "NA","CAS_id": "162101-61-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7704","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-7-o-beta-d-glucuronide butyl ester
C25H26O11 (502.14750460000005)
{"Ingredient_id": "HBIN016459","Ingredient_name": "apigenin-7-o-beta-d-glucuronide butyl ester","Alias": "apigenin-7-o-\u03b2-d-glucuronide butyl ester","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CCCCOC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30617;1495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3,4,5-trihydroxy-6-{[6-hydroxy-7-(1-hydroxypropan-2-yl)-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4(12),5,7,9-pentaen-5-yl]oxy}oxan-2-yl)methoxysulfonic acid
C21H26O12S (502.11449160000006)
methyl 6-[(1s)-1-[4-(methoxycarbonyl)phenazin-1-yl]ethyl]phenazine-1-carboxylate
2,3-dihydroxy-2,3-bis[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid
(1r,2s,3r)-2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-1-[(r)-(4-hydroxyphenyl)(methoxy)methyl]-2,3-dihydro-1h-indene-4,6-diol
10,15,16-trihydroxy-3,8-dimethoxy-3-methyl-6,7-dihydro-4h-2-oxahexaphene-1,9,14-trione
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
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
{3,4,5-trihydroxy-6-[(8-hydroxy-2-oxochromen-7-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
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
(4s,11s,18s)-4,18-diisopropyl-11-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol
C22H26N6O4S2 (502.14568760000003)
6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1,2,3-trihydroxy-3-(hydroxymethyl)-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydro-1h-tetraphene-7,12-dione
C25H26O11 (502.14750460000005)
(2s,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
7,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-2-one
(3,4,5-trihydroxy-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxan-2-yl)methyl acetate
C25H26O11 (502.14750460000005)
3-oxo-3-({3,4,5-trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxan-2-yl}methoxy)propanoic acid
4-{3-[(2e)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-2-methylbut-2-en-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
2',4,4',6,6'-pentakis(acetyloxy)-[1,1'-biphenyl]-2-yl acetate
(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
(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
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 (502.14750460000005)
[(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 (502.11449160000006)
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
butyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate
C25H26O11 (502.14750460000005)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1e)-3-oxobut-1-en-1-yl]phenoxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C25H26O11 (502.14750460000005)
(3r)-3-[(3s,3ar,6s,6ar)-3,6-dihydroxy-2-oxo-3a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dihydro-5h-furo[3,2-b]furan-3-yl]-3-(4-hydroxyphenyl)propanoic acid
(1s,3as,4s,6ar)-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 (502.14750460000005)
(2s,3r,4r,5s,6s)-2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methylpropanoate
C25H26O11 (502.14750460000005)
4,18-diisopropyl-11-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol
C22H26N6O4S2 (502.14568760000003)
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
methyl 6-{1-[4-(methoxycarbonyl)phenazin-1-yl]ethyl}phenazine-1-carboxylate
(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
butyl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate
C25H26O11 (502.14750460000005)
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 (502.07385800000003)
(1r,3ar,4s,6as)-4-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-1-(4-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
C25H26O11 (502.14750460000005)
13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.0²,⁷.0⁸,²⁵.0⁹,¹⁴.0¹⁸,²³]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
C25H26O11 (502.14750460000005)
(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
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
4-{3-[3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-2-methylbut-2-en-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
7,8-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-2-one
[(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
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxan-2-yl]methyl acetate
C25H26O11 (502.14750460000005)
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
2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methylpropanoate
C25H26O11 (502.14750460000005)
(1s,16s,18r,20r,21s,22s,23r)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.0²,⁷.0⁸,²⁵.0⁹,¹⁴.0¹⁸,²³]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
C25H26O11 (502.14750460000005)
(11r,13r)-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
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
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
7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-{[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
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
3-oxo-3-({3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxan-2-yl}methoxy)propanoic acid
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 (502.14750460000005)