Terminology Service for NFDI4Health
1-hepten-3-one
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http://purl.obolibrary.org/obo/CHEBI_87567
An enone that is hept-1-ene substituted by an oxo group at position 3.
Term info
Label
1-hepten-3-one
Synonyms
- hept-1-en-3-one
Subsets
3_STAR
charge
0
formula
C7H12O
has obo namespace
chebi_ontology
has related synonym
vinyl butyl ketone, n-butylacrolein
id
CHEBI:87567
inchi
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
inchikey
OYLCUJRJCUXQBQ-UHFFFAOYSA-N
mass
112.16960
monoisotopicmass
112.08882
smiles
CCCCC(=O)C=C