4-O-beta-D-glucosyl-trans-4-coumaric acid (CHEBI:83032)

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CHEBI:83032 - 4-O-β-D-glucosyl-trans-4-coumaric acid

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ChEBI ID	CHEBI:83032
ChEBI Name	4-O-β-D-glucosyl-trans-4-coumaric acid
Stars
ASCII Name	4-O-beta-D-glucosyl-trans-4-coumaric acid
Definition	A 4-O-β-D-glucosyl-4-coumaric acid in which the double bond has trans-configuration.
Last Modified	18 September 2014
Submitter	Steve
Downloads	Molfile

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

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) has role plant metabolite (CHEBI:76924)
	4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) is a 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335)
	4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) is conjugate acid of 4-O-β-D-glucosyl-trans-4-coumarate (CHEBI:79066)
Incoming Relation(s)
	4-O-β-D-glucosyl-trans-4-coumarate (CHEBI:79066) is conjugate base of 4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032)

IUPAC Name
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid

Synonyms	Source
(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylic acid	IUPAC
3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-Propenoic acid	HMDB
4-O-β-D-glucosyl-4-hydroxycinnamic acid	ChEBI
4-O-[4-(2-Carboxyvinyl)phenyl]-beta-D-glucopyranose	HMDB
4-O-beta-D-Glucosyl-4-coumaric acid	HMDB
trans-β-D-glucosyl-4-hydroxycinnamic acid	ChEBI

Manual Xrefs	Databases
CPD-457	MetaCyc
HMDB0039509	HMDB

Registry Numbers	Sources
Reaxys:3563646	Reaxys
CAS:14364-05-7	HMDB