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CHEBI:28996 - pinocarvone

ChEBI IDCHEBI:28996
ChEBI Namepinocarvone
Stars
DefinitionA bridged compound resulting from rearrangement of carvone.
Secondary ChEBI IDsCHEBI:8220, CHEBI:26138
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESC=C1C(=O)CC2CC1C2(C)C
InChIInChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
InChIKeyTZDMGBLPGZXHJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
pinocarvone (CHEBI:28996) has role mouse metabolite (CHEBI:75771)
pinocarvone (CHEBI:28996) is a bridged compound (CHEBI:35990)
pinocarvone (CHEBI:28996) is a carvones (CHEBI:23048)
IUPAC Name 
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
Synonyms  Source
2(10)-pinen-3-oneChemIDplus
pina-2(10)-ene-3-oneChEBI
(1)-2(10)-pinen-3-oneChemIDplus
Manual XrefsDatabases
C09884KEGG COMPOUND
LMPR0102090023LIPID MAPS
C00003053KNApSAcK
Registry NumbersSources
Reaxys:2041834Reaxys
CAS:30460-92-5ChemIDplus
CAS:30460-92-5KEGG COMPOUND