6-[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190891)

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CHEBI:190891 - 6-[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:190891
ChEBI Name	6-[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H28O16
Net Charge	0
Average Mass	596.494
Monoisotopic Mass	596.13773
SMILES	O=C1c2c(O)cc(O)cc2OC(c2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C1OC1OC(CO)C(O)C1O
InChI	InChI=1S/C26H28O16/c27-7-13-15(30)19(34)26(40-13)41-22-16(31)14-11(29)5-9(28)6-12(14)39-21(22)8-2-1-3-10(4-8)38-25-20(35)17(32)18(33)23(42-25)24(36)37/h1-6,13,15,17-23,25-30,32-35H,7H2,(H,36,37)
InChIKey	AHFZKPLQLIPVDO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)	root (BTO:0001188)	MetaboLights (MTBLS4362)

ChEBI Ontology

Outgoing Relation(s)
	6-[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190891) is a flavonoids (CHEBI:72544)
	6-[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190891) is a β-D-glucosiduronic acid (CHEBI:15341)

IUPAC Name
6-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0132749	HMDB