6-{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168369)

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CHEBI:168369 - 6-{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:168369
ChEBI Name	6-{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H28O16
Net Charge	0
Average Mass	620.516
Monoisotopic Mass	620.13773
SMILES	COc1cc(-c2cc(=O)c3c(O)c(C4OC(C)C(=O)C(O)C4O)c(O)cc3o2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI	InChI=1S/C28H28O16/c1-8-18(31)20(33)22(35)25(41-8)17-11(30)7-15-16(19(17)32)10(29)6-13(42-15)9-3-4-12(14(5-9)40-2)43-28-24(37)21(34)23(36)26(44-28)27(38)39/h3-8,20-26,28,30,32-37H,1-2H3,(H,38,39)
InChIKey	LLOKLVWFMIXVFX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	6-{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168369) is a flavonoids (CHEBI:72544)
	6-{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168369) is a β-D-glucosiduronic acid (CHEBI:15341)

IUPAC Name
6-[4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0127333	HMDB