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CHEBI:183302 - o-Anisic acid, tridec-2-ynyl ester

ChEBI IDCHEBI:183302
ChEBI Nameo-Anisic acid, tridec-2-ynyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESCCCCCCCCCCC#CCOC(=O)c1ccccc1OC
InChIInChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-15-18-24-21(22)19-16-13-14-17-20(19)23-2/h13-14,16-17H,3-11,18H2,1-2H3
InChIKeyAHLTWCUDPVNCME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS1866)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
o-Anisic acid, tridec-2-ynyl ester (CHEBI:183302) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
tridec-2-ynyl 2-methoxybenzoate
Manual XrefsDatabases
462275ChemSpider