3-O-(trans-4-coumaroyl)-beta-D-glucopyranose (CHEBI:76094)

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ChEBI Name	*3-O-(trans-4-coumaroyl)-β-D-glucopyranose*

ChEBI ID	CHEBI:76094

ChEBI ASCII Name	3-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 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O8

Net Charge

Average Mass

326.29860

Monoisotopic Mass

326.10017

InChI

InChI=1S/C15H18O8/c16-7-10-12(19)14(13(20)15(21)22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13-,14+,15-/m1/s1

InChIKey

BYOUHUPERRXZGM-KGPNNSINSA-N

SMILES

OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) has functional parent β-D-glucose (CHEBI:15903) 3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) has functional parent trans-4-coumaric acid (CHEBI:32374) 3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) has role metabolite (CHEBI:25212) 3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) is a O-acyl carbohydrate (CHEBI:52782) 3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) is a cinnamate ester (CHEBI:36087) 3-O-(trans-4-coumaroyl)-β-D-glucopyranose (CHEBI:76094) is a phenols (CHEBI:33853)

IUPAC Name

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

Registry Number	Type	Source
3086193	Reaxys Registry Number	Reaxys

Last Modified

04 December 2013