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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

ChEBI IDCHEBI:187838
ChEBI Name6-{[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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H48O26
Net Charge0
Average Mass932.787
Monoisotopic Mass932.24338
SMILESCC1OC(Oc2c(C3OC(CO)C(O)C(O)C3O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=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)
InChIKeyIORDOZRNDCTETQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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)
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)
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 XrefsDatabases
HMDB0126977HMDB