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

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ChEBI Name 1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose ChEBI ID CHEBI:136876 ChEBI ASCII Name 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose Definition An O-acyl carbohydrate that is β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H16O9 Net Charge 0 Average Mass 316.261 Monoisotopic Mass 316.07943 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 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 ChEBI Ontology Outgoing 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 β-D-glucoside (CHEBI:22798) 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) Incoming 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 Sources 1-(3,4-dihydroxybenzoyl)-β-D-glucose ChEBI 1-O-(3,4-dihydroxy-benzoyl)-β-D-glucose UniProt 1-O-(3,4-dihydroxybenzoyl)-β-D-glucose ChEBI 1-O-protocatechuoyl-β-D-glucopyranose ChEBI 1-O-protocatechuoyl-β-D-glucose ChEBI 1-protocatechuoyl-β-D-glucopyranose ChEBI 1-protocatechuoyl-β-D-glucose ChEBI β-D-glucosyl 3,4-dihydroxybenzoate ChEBI Registry Number Type Source 7823578 Reaxys Registry Number Reaxys Citation Type Source 24412325 PubMed citation SUBMITTER Last Modified 07 July 2017