CHEBI:136772 - 2,5-dihydroxybenzoic acid 5-O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,5-dihydroxybenzoic acid 5-O-β-D-glucoside
ChEBI ID CHEBI:136772
ChEBI ASCII Name 2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside
Definition A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O9
Net Charge 0
Average Mass 316.261
Monoisotopic Mass 316.07943
InChI InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
InChIKey CBTFERBMQQAROP-BZNQNGANSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=C(O)C=C2)C(O)=O)CO
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,5-dihydroxybenzoic acid 5-O-β-D-glucoside (CHEBI:136772) has functional parent 2,5-dihydroxybenzoic acid (CHEBI:17189)
2,5-dihydroxybenzoic acid 5-O-β-D-glucoside (CHEBI:136772) has role Brassica napus metabolite (CHEBI:140165)
2,5-dihydroxybenzoic acid 5-O-β-D-glucoside (CHEBI:136772) is a β-D-glucoside (CHEBI:22798)
2,5-dihydroxybenzoic acid 5-O-β-D-glucoside (CHEBI:136772) is a monohydroxybenzoic acid (CHEBI:25389)
IUPAC Name
5-(β-D-glucopyranosyloxy)-2-hydroxybenzoic acid
Synonyms Sources
2,5-dihydroxybenzoic acid 5-β-D-glucoside ChEBI
2,5-dihydroxybenzoic acid 5-β-glucoside ChEBI
2,5-dihydroxybenzoic acid 5-O-β-glucoside ChEBI
5-(β-D-glucosyloxy)-2-hydroxybenzoic acid ChEBI
gentisic acid 5-β-D-glucoside ChEBI
gentisic acid 5-β-glucoside ChEBI
gentisic acid 5-O-β-D-glucoside ChEBI
gentisic acid 5-O-β-glucoside ChEBI
Registry Number Type Source
1295224 Reaxys Registry Number Reaxys
Last Modified
14 March 2018