CHEBI:67898 - orsellinic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name orsellinic acid methyl ester
ChEBI ID CHEBI:67898
Definition A natural product found in Rhododendron ferrugineum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H10O4
Net Charge 0
Average Mass 182.17330
Monoisotopic Mass 182.05791
InChI InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
InChIKey NCCWCZLEACWJIN-UHFFFAOYSA-N
SMILES COC(=O)c1c(C)cc(O)cc1O
Metabolite of Species Details
Rhododendron ferrugineum (NCBI:txid49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing orsellinic acid methyl ester (CHEBI:67898) has role metabolite (CHEBI:25212)
orsellinic acid methyl ester (CHEBI:67898) is a hydroxybenzoic acid (CHEBI:24676)
Synonyms Sources
Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester ChEBI
Methyl 4,6-dihydroxy-2-methylbenzoate ChEBI
Citation Waiting for Citations Type Source
21443171 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzenes(CHEBI:22712); ISA:carbonyl compound(CHEBI:36586); ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:hydroxytoluene(CHEBI:24751); ISA:resorcinols(CHEBI:33572); ISA:toluenes(CHEBI:27024); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:enol(CHEBI:33823); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);