CHEBI:168799 - Methyl 2E-hexenoate

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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 2E-hexenoate
ChEBI ID CHEBI:168799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H12O2
Net Charge 0
Average Mass 128.171
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey GFUGBRNILVVWIE-AATRIKPKSA-N
SMILES O(C(=O)\C=C\CCC)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 2E-hexenoate (CHEBI:168799) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl (E)-hex-2-enoate
Manual Xrefs Databases
4516564 ChemSpider
HMDB0031500 HMDB
LMFA07010940 LIPID MAPS
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Registry Number Type Source
13894-63-8 CAS Registry Number ChemIDplus