CHEBI:168485 - Methyl 2-octynoate

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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 Methyl 2-octynoate
ChEBI ID CHEBI:168485
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H14O2
Net Charge 0
Average Mass 154.209
Monoisotopic Mass 154.09938
InChI InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
InChIKey FRLZQXRXIKQFNS-UHFFFAOYSA-N
SMILES O(C(=O)C#CCCCCC)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl 2-octynoate (CHEBI:168485) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl oct-2-ynoate
Manual Xrefs Databases
7801 ChemSpider
HMDB0031302 HMDB
LMFA07010945 LIPID MAPS
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Registry Number Type Source
111-12-6 CAS Registry Number ChemIDplus