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CHEBI:136876 - 1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose

ChEBI IDCHEBI:136876
ChEBI Name1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose
Stars
ASCII Name1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose
DefinitionAn O-acyl carbohydrate that is β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group.
Last Modified7 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H16O9
Net Charge0
Average Mass316.262
Monoisotopic Mass316.07943
SMILESO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1
InChIInChI=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
InChIKeyMOBYACALHPXMHU-HMUNZLOLSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) has functional parent 3,4-dihydroxybenzoic acid (CHEBI:36062)
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) is a O-acyl carbohydrate (CHEBI:52782)
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) is a benzoate ester (CHEBI:36054)
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) is a monosaccharide derivative (CHEBI:63367)
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
1-O-vanilloyl-β-D-glucose (CHEBI:71512) has functional parent 1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876)
IUPAC Name 
1-O-(3,4-dihydroxybenzoyl)-β-D-glucopyranose
Synonyms  Source
1-O-(3,4-dihydroxybenzoyl)-β-D-glucoseChEBI
1-(3,4-dihydroxybenzoyl)-β-D-glucoseChEBI
1-O-protocatechuoyl-β-D-glucoseChEBI
1-protocatechuoyl-β-D-glucoseChEBI
1-O-protocatechuoyl-β-D-glucopyranoseChEBI
β-D-glucosyl 3,4-dihydroxybenzoateChEBI
UniProt Name  Source
1-O-(3,4-dihydroxy-benzoyl)-β-D-glucoseUniProt
Registry NumbersSources
Reaxys:7823578Reaxys
Citations