CHEBI:168849 - 4-Acetyl-1-methylcyclohexene

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-Acetyl-1-methylcyclohexene
ChEBI ID CHEBI:168849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB82078528, eMolecules:630650
Download Molfile XML SDF
Formula C9H14O
Net Charge 0
Average Mass 138.210
Monoisotopic Mass 138.10447
InChI InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
InChIKey HOBBEYSRFFJETF-UHFFFAOYSA-N
SMILES O=C(C1CCC(=CC1)C)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 4-Acetyl-1-methylcyclohexene (CHEBI:168849) is a ketone (CHEBI:17087)
IUPAC Name
1-(4-methylcyclohex-3-en-1-yl)ethanone
Manual Xrefs Databases
83972 ChemSpider
HMDB0033434 HMDB
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Registry Number Type Source
6090-09-1 CAS Registry Number ChemIDplus