6-O-(trans-4-coumaroyl)-beta-D-glucopyranose (CHEBI:76089)

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CHEBI:76089 - 6-O-(trans-4-coumaroyl)-β-D-glucopyranose

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ChEBI ID	CHEBI:76089
ChEBI Name	6-O-(trans-4-coumaroyl)-β-D-glucopyranose
Stars
ASCII Name	6-O-(trans-4-coumaroyl)-beta-D-glucopyranose
Definition	An O-acyl carbohydrate that is β-D-glucose bearing a trans-4-coumaroyl substituent at position 6.
Last Modified	4 December 2013
Submitter	mwilliams
Downloads	Molfile

Formula	C15H18O8
Net Charge	0
Average Mass	326.301
Monoisotopic Mass	326.10017
SMILES	O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15-/m1/s1
InChIKey	GKUSDFCBGXFHIL-FDGSXQGBSA-N

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)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) has functional parent trans-4-coumaric acid (CHEBI:32374)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) has functional parent β-D-glucose (CHEBI:15903)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) has role metabolite (CHEBI:25212)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) is a O-acyl carbohydrate (CHEBI:52782)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) is a cinnamate ester (CHEBI:36087)
	6-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76089) is a phenols (CHEBI:33853)

IUPAC Name
6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranose

Synonyms	Source
6-O-(trans-4-coumaroyl)-β-D-glucose	ChEBI
6-(trans-4-coumaroyl)-β-D-glucose	ChEBI

Registry Numbers	Sources
Reaxys:5101368	Reaxys