CHEBI:168792 - cis-Ethyl 4-heptenoate

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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 cis-Ethyl 4-heptenoate
ChEBI ID CHEBI:168792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H16O2
Net Charge 0
Average Mass 156.225
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey GITGIBUELGTBSG-WAYWQWQTSA-N
SMILES O(C(=O)CC/C=C\CC)CC
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 cis-Ethyl 4-heptenoate (CHEBI:168792) is a fatty acid ester (CHEBI:35748)
IUPAC Name
ethyl (Z)-hept-4-enoate
Manual Xrefs Databases
20121597 ChemSpider
HMDB0032265 HMDB
LMFA07010811 LIPID MAPS
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Registry Number Type Source
39924-27-1 CAS Registry Number ChemIDplus