6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184829)

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CHEBI:184829 - 6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:184829
ChEBI Name	6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H30O15
Net Charge	0
Average Mass	702.621
Monoisotopic Mass	702.15847
SMILES	O=C1CC(c2cccc(O)c2)Oc2c1c(OC1OC(C(=O)O)C(O)C(O)C1O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccccc1
InChI	InChI=1S/C36H30O15/c37-16-8-4-7-15(9-16)21-12-19(40)25-23(50-36-31(45)29(43)30(44)34(51-36)35(46)47)13-20(41)26(33(25)48-21)27-28(42)24-18(39)10-17(38)11-22(24)49-32(27)14-5-2-1-3-6-14/h1-11,13,21,27,29-32,34,36-39,41,43-45H,12H2,(H,46,47)
InChIKey	WOKXBARCXUHWCV-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-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184829) is a flavonoid oligomer (CHEBI:72720)

IUPAC Name
6-[[8-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0129235	HMDB