1-O-(4-hydroxybenzoyl)-beta-D-glucopyranose (CHEBI:145301)

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ChEBI Name	1-O-(4-hydroxybenzoyl)-β-D-glucopyranose

ChEBI ID	CHEBI:145301

ChEBI ASCII Name	1-O-(4-hydroxybenzoyl)-beta-D-glucopyranose

Definition	An O-acyl carbohydrate that is β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O8

Net Charge

Average Mass

300.263

Monoisotopic Mass

300.08452

InChI

InChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-1-3-7(15)4-2-6/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1

InChIKey

XWTGDGASXRARSP-HMUNZLOLSA-N

SMILES

[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC(=O)C=2C=CC(=CC2)O

Metabolite of Species	Details
Rosmarinus officinalis (NCBI:txid39367)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	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	1-O-(4-hydroxybenzoyl)-β-D-glucopyranose (CHEBI:145301) has role plant metabolite (CHEBI:76924) 1-O-(4-hydroxybenzoyl)-β-D-glucopyranose (CHEBI:145301) is a β-D-glucoside (CHEBI:22798) 1-O-(4-hydroxybenzoyl)-β-D-glucopyranose (CHEBI:145301) is a O-acyl carbohydrate (CHEBI:52782) 1-O-(4-hydroxybenzoyl)-β-D-glucopyranose (CHEBI:145301) is a benzoate ester (CHEBI:36054) 1-O-(4-hydroxybenzoyl)-β-D-glucopyranose (CHEBI:145301) is a monosaccharide derivative (CHEBI:63367)

IUPAC Name

1-O-(4-hydroxybenzoyl)-β-D-glucopyranose

Synonyms	Sources
1-(4-hydroxybenzoyl)glucose	ChEBI
1-O-4-hydroxybenzoyl-β-D-glucose	ChEBI
1-O-p-hydroxybenzoyl-β-D-glucose	MetaCyc
4-hydroxybenzoic acid β-D-glucopyranosyl ester	ChEBI
p-hydroxybenzoyl β-D-glucopyranoside	ChEBI

Registry Number	Type	Source
25545-07-7	CAS Registry Number	ChEBI

Last Modified

06 November 2019