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CHEBI:190897 - 6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190897
ChEBI Name6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O17
Net Charge0
Average Mass612.493
Monoisotopic Mass612.13265
SMILESO=C1c2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C1O
InChIInChI=1S/C26H28O17/c27-6-13-15(31)19(35)25(41-13)42-22-16(32)14-11(39-21(22)7-1-2-9(29)10(30)3-7)4-8(28)5-12(14)40-26-20(36)17(33)18(34)23(43-26)24(37)38/h1-5,13,15,17-23,25-31,33-36H,6H2,(H,37,38)
InChIKeyPMNDMSVWSAFRPO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190897) is a flavonoids (CHEBI:72544)
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190897) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
6-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132735HMDB