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CHEBI:91166 - 2,3-dihydroxybenzoic acid 3-O-β-D-xyloside

ChEBI IDCHEBI:91166
ChEBI Name2,3-dihydroxybenzoic acid 3-O-β-D-xyloside
Stars
ASCII Name2,3-dihydroxybenzoic acid 3-O-beta-D-xyloside
DefinitionA monohydroxybenzoic acid that is 2-hydroxybenzoic acid in which the hydrogen at position 3 is replaced by a β-D-xylosyloxy group.
Last Modified6 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H14O8
Net Charge0
Average Mass286.236
Monoisotopic Mass286.06887
SMILESO=C(O)c1cccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIInChI=1S/C12H14O8/c13-6-4-19-12(10(16)9(6)15)20-7-3-1-2-5(8(7)14)11(17)18/h1-3,6,9-10,12-16H,4H2,(H,17,18)/t6-,9+,10-,12+/m1/s1
InChIKeyLRLNKLFTNOIZNI-LYXBDTNHSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
2,3-dihydroxybenzoic acid 3-O-β-D-xyloside (CHEBI:91166) has functional parent 2,3-dihydroxybenzoic acid (CHEBI:18026)
2,3-dihydroxybenzoic acid 3-O-β-D-xyloside (CHEBI:91166) has role plant metabolite (CHEBI:76924)
2,3-dihydroxybenzoic acid 3-O-β-D-xyloside (CHEBI:91166) is a monohydroxybenzoic acid (CHEBI:25389)
2,3-dihydroxybenzoic acid 3-O-β-D-xyloside (CHEBI:91166) is a β-D-xyloside (CHEBI:27926)
IUPAC Name 
2-hydroxy-3-(β-D-xylopyranosyloxy)benzoic acid
Synonym  Source
2,3-DHBA 3-O-XylChEBI
Citations