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CHEBI:155896 - benzyl 2,5-dihydroxybenzoate

ChEBI IDCHEBI:155896
ChEBI Namebenzyl 2,5-dihydroxybenzoate
Stars
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of 2,5-dihydroxybenzoic acid with the hydroxy group of phenylmethanol.
Last Modified19 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC14H12O4
Net Charge0
Average Mass244.246
Monoisotopic Mass244.07356
SMILESO=C(OCc1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C14H12O4/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2
InChIKeyLRYANVPYFCKCCR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paeonia lactiflora (ncbitaxon:35924) root (BTO:0001188) PubMed (28901069)
Roles Classification
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)
benzyl 2,5-dihydroxybenzoate (CHEBI:155896) has functional parent 2,5-dihydroxybenzoic acid (CHEBI:17189)
benzyl 2,5-dihydroxybenzoate (CHEBI:155896) has role plant metabolite (CHEBI:76924)
benzyl 2,5-dihydroxybenzoate (CHEBI:155896) is a benzoate ester (CHEBI:36054)
benzyl 2,5-dihydroxybenzoate (CHEBI:155896) is a benzyl ester (CHEBI:90628)
benzyl 2,5-dihydroxybenzoate (CHEBI:155896) is a phenols (CHEBI:33853)
IUPAC Name 
benzyl 2,5-dihydroxybenzoate
Synonyms  Source
2,5-dihydroxybenzoic acid benzyl esterChEBI
benzyl gentisateChEBI
phenylmethyl 2,5-dihydroxybenzoateChEBI
trichocarpigeninChEBI
trichocarpineneChEBI
Registry NumbersSources
CAS:21782-87-6ChEBI
Citations