malvidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) (CHEBI:75693)

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CHEBI:75693 - malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)

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ChEBI ID	CHEBI:75693
ChEBI Name	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)
Stars
ASCII Name	malvidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
Definition	An anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-β-D-glucosyl residue
Last Modified	25 November 2013
Submitter	mwilliams
Downloads	Molfile

Formula	C32H31O14
Net Charge	+1
Average Mass	639.586
Monoisotopic Mass	639.17083
SMILES	COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChI	InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1/t25-,28-,29+,30-,32-/m1/s1
InChIKey	HXQOVGDXCHFLOP-KWNZYCHBSA-O

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) has functional parent trans-4-coumaric acid (CHEBI:32374)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) has functional parent malvidin (CHEBI:6674)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) has role metabolite (CHEBI:25212)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) is a anthocyanin cation (CHEBI:35218)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) is a aromatic ether (CHEBI:35618)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) is a cinnamate ester (CHEBI:36087)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) is a polyphenol (CHEBI:26195)
	malvidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75693) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside

Synonyms	Source
Malvidin 3-(6''-p-coumarylglucoside)	LIPID MAPS
malvidin-3-O-(6-O-trans-p-coumaryl-β-D-glucoside)	ChEBI

Manual Xrefs	Databases
LMPK12010383	LIPID MAPS

Registry Numbers	Sources
Reaxys:9605442	Reaxys