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CHEBI:190731 - 6-{[6-(6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190731
ChEBI Name6-{[6-(6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O13
Net Charge0
Average Mass560.508
Monoisotopic Mass560.15299
SMILESCOc1c2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)c1-c1coc3cc(O)c(O)cc3c1=O)OC(C)(C)CC2
InChIInChI=1S/C27H28O13/c1-27(2)5-4-10-16(40-27)8-17(38-26-22(33)20(31)21(32)24(39-26)25(34)35)18(23(10)36-3)12-9-37-15-7-14(29)13(28)6-11(15)19(12)30/h6-9,20-22,24,26,28-29,31-33H,4-5H2,1-3H3,(H,34,35)
InChIKeyBTVCJKZCRIHDPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-{[6-(6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190731) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
6-[[6-(6,7-dihydroxy-4-oxochromen-3-yl)-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125996HMDB