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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	o-Anisic acid, tridec-2-ynyl ester

ChEBI ID	CHEBI:183302

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H30O3

Net Charge

Average Mass

330.468

Monoisotopic Mass

330.21949

InChI

InChI=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

InChIKey

AHLTWCUDPVNCME-UHFFFAOYSA-N

SMILES

O(CC#CCCCCCCCCCC)C(=O)C=1C(OC)=CC=CC1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	o-Anisic acid, tridec-2-ynyl ester (CHEBI:183302) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

tridec-2-ynyl 2-methoxybenzoate