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

ChEBI IDCHEBI:76094
ChEBI Name3-O-(trans-4-coumaroyl)-β-D-glucopyranose
Stars
ASCII Name3-O-(trans-4-coumaroyl)-beta-D-glucopyranose
DefinitionAn O-acyl carbohydrate that is β-D-glucose bearing a trans-4-coumaroyl substituent at position 4.
Last Modified4 December 2013
Submittermwilliams
DownloadsMolfile
FormulaC15H18O8
Net Charge0
Average Mass326.301
Monoisotopic Mass326.10017
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O
InChIInChI=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
InChIKeyBYOUHUPERRXZGM-KGPNNSINSA-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)
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 functional parent β-D-glucose (CHEBI:15903)
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
Synonyms  Source
3-O-(trans-4-coumaroyl)-β-D-glucoseChEBI
3-(trans-4-coumaroyl)-β-D-glucoseChEBI
Registry NumbersSources
Reaxys:3086193Reaxys