Catechin 3',4'-diglucoside (CHEBI:191665)

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CHEBI:191665 - Catechin 3',4'-diglucoside

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ChEBI ID	CHEBI:191665
ChEBI Name	Catechin 3',4'-diglucoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H34O16
Net Charge	0
Average Mass	614.553
Monoisotopic Mass	614.18469
SMILES	OCC1OC(Oc2ccc(C3Oc4cc(O)cc(O)c4CC3O)cc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI	InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2
InChIKey	WEXDMQBFSBEMLP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Ulmus parvifolia (ncbitaxon:63058)
	seed (BTO:0001226)	MetaboLights (MTBLS4572)
	bark (BTO:0001301)	MetaboLights (MTBLS4572)

ChEBI Ontology

Outgoing Relation(s)
	Catechin 3',4'-diglucoside (CHEBI:191665) is a flavonoids (CHEBI:72544)
	Catechin 3',4'-diglucoside (CHEBI:191665) is a glycoside (CHEBI:24400)

IUPAC Name
2-[3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol

Manual Xrefs	Databases
HMDB0037950	HMDB