CHEBI:195684 - 4-Methyl-1-hepten-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4-Methyl-1-hepten-3-one
ChEBI ID CHEBI:195684
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O
Net Charge 0
Average Mass 126.199
Monoisotopic Mass 126.10447
InChI InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h5,7H,2,4,6H2,1,3H3
InChIKey FMZDFRXBZBPNSU-UHFFFAOYSA-N
SMILES O=C(C(CCC)C)C=C
ChEBI Ontology
Outgoing 4-Methyl-1-hepten-3-one (CHEBI:195684) is a enone (CHEBI:51689)
IUPAC Name
4-methylhept-1-en-3-one
Manual Xrefs Databases
21376532 ChemSpider
LMFA12000105 LIPID MAPS
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