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CHEBI:190779 - 3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:190779
ChEBI Name3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O14
Net Charge0
Average Mass510.404
Monoisotopic Mass510.10096
SMILESCOc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c1)O2
InChIInChI=1S/C22H22O14/c1-33-19-8(24)5-10-11(13(19)26)12(25)15(28)18(34-10)6-2-3-9(7(23)4-6)35-22-17(30)14(27)16(29)20(36-22)21(31)32/h2-5,14-18,20,22-24,26-30H,1H3,(H,31,32)
InChIKeyVIKXEASSNDMYGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:190779) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:190779) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128817HMDB