6-{[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169577)

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CHEBI:169577 - 6-{[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:169577
ChEBI Name	6-{[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-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(OC4OC(C(=O)O)C(O)C(O)C4O)c(C4OC(C)C(=O)C(O)C4O)c(O)cc3o2)ccc1O
InChI	InChI=1S/C28H28O16/c1-8-18(32)19(33)21(35)25(41-8)17-12(31)7-15-16(11(30)6-13(42-15)9-3-4-10(29)14(5-9)40-2)24(17)43-28-23(37)20(34)22(36)26(44-28)27(38)39/h3-8,19-23,25-26,28-29,31,33-37H,1-2H3,(H,38,39)
InChIKey	RFPZNIPFESNXNC-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-{[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169577) is a flavonoids (CHEBI:72544)
	6-{[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169577) is a β-D-glucosiduronic acid (CHEBI:15341)

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

Manual Xrefs	Databases
HMDB0127332	HMDB