CHEBI:187838 - 6-{[2-(3,4-dihydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{[2-(3,4-dihydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:187838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H48O26
Net Charge 0
Average Mass 932.787
Monoisotopic Mass 932.24338
InChI InChI=1S/C39H48O26/c1-8-19(45)22(48)29(55)38(59-8)64-33-17(34-26(52)23(49)20(46)14(6-40)61-34)31-16(12(44)5-13(60-31)9-2-3-10(42)11(43)4-9)32(18(33)35-27(53)24(50)21(47)15(7-41)62-35)63-39-30(56)25(51)28(54)36(65-39)37(57)58/h2-5,8,14-15,19-30,34-36,38-43,45-56H,6-7H2,1H3,(H,57,58)
InChIKey IORDOZRNDCTETQ-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1CO)C=2C(OC3OC(C(O)C(O)C3O)C)=C(C4OC(C(O)C(O)C4O)CO)C=5OC(=CC(=O)C5C2OC6OC(C(O)C(O)C6O)C(O)=O)C7=CC(O)=C(O)C=C7
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{[2-(3,4-dihydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:187838) is a β-D-glucosiduronic acid (CHEBI:15341)
6-{[2-(3,4-dihydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:187838) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[2-(3,4-dihydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0126977 HMDB
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