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1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose

Go to external page http://purl.obolibrary.org/obo/CHEBI_136876

An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group.

Term info

Label

1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose

Synonyms
  • 1-O-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose [ IUPAC ]

charge

0

formula

C13H16O9

has obo namespace

chebi_ontology

has related synonym

1-O-(3,4-dihydroxybenzoyl)-beta-D-glucose, 1-O-protocatechuoyl-beta-D-glucopyranose, beta-D-glucosyl 3,4-dihydroxybenzoate, 1-protocatechuoyl-beta-D-glucopyranose, 1-O-(3,4-dihydroxy-benzoyl)-beta-D-glucose, 1-(3,4-dihydroxybenzoyl)-beta-D-glucose, 1-protocatechuoyl-beta-D-glucose, 1-O-protocatechuoyl-beta-D-glucose

id

CHEBI:136876

inchi

InChI=1S/C13H16O9/c14-4-8-9(17)10(18)11(19)13(21-8)22-12(20)5-1-2-6(15)7(16)3-5/h1-3,8-11,13-19H,4H2/t8-,9-,10+,11-,13+/m1/s1

inchikey

MOBYACALHPXMHU-HMUNZLOLSA-N

mass

316.261

monoisotopicmass

316.07943

smiles

O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=C(C(=C2)O)O)O)O)O)CO