delphinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) (CHEBI:75677)

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CHEBI:75677 - delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)

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ChEBI ID	CHEBI:75677
ChEBI Name	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)
Stars
ASCII Name	delphinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
Definition	An anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-β-D-glucosyl residue
Last Modified	29 March 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C30H27O14
Net Charge	+1
Average Mass	611.532
Monoisotopic Mass	611.13953
SMILES	O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1
InChIKey	DHTPVCYNNWQRMN-LHRGPQAGSA-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)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) has functional parent trans-4-coumaric acid (CHEBI:32374)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) has functional parent delphinidin (CHEBI:28436)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) has role metabolite (CHEBI:25212)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) is a anthocyanin cation (CHEBI:35218)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) is a cinnamate ester (CHEBI:36087)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) is a polyphenol (CHEBI:26195)
	delphinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75677) is a β-D-glucoside (CHEBI:22798)

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

Synonyms	Source
delfinidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)	ChEBI
delfinidin 3-O-(6-O-(E)-p-coumaroyl-β-D-glucoside)	ChEBI
Delphinidin 3-(6-p-coumaroyl)glucoside	KEGG COMPOUND
Delphinidin 3-O-β-D-(6-O-(E)-p-coumaryl)galactopyranoside	LIPID MAPS

Manual Xrefs	Databases
C16370	KEGG COMPOUND
LMPK12010269	LIPID MAPS

Registry Numbers	Sources
Reaxys:9605465	Reaxys