6-[5-(3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185198)

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CHEBI:185198 - 6-[5-(3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:185198
ChEBI Name	6-[5-(3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H28O18
Net Charge	0
Average Mass	640.503
Monoisotopic Mass	640.12756
SMILES	O=C(O)C1OC(Oc2cc(-c3oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c(=O)c3O)ccc2O)C(O)C(O)C1O
InChI	InChI=1S/C27H28O18/c28-6-13-15(31)17(33)21(37)26(44-13)41-8-4-10(30)14-12(5-8)42-23(19(35)16(14)32)7-1-2-9(29)11(3-7)43-27-22(38)18(34)20(36)24(45-27)25(39)40/h1-5,13,15,17-18,20-22,24,26-31,33-38H,6H2,(H,39,40)
InChIKey	FDTKEGYLICCQKX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein [LBO:0000132]

ChEBI Ontology

Outgoing Relation(s)
	6-[5-(3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185198) is a flavonoids (CHEBI:72544)
	6-[5-(3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185198) is a β-D-glucosiduronic acid (CHEBI:15341)

IUPAC Name
6-[5-[3,5-dihydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0135158	HMDB