EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171963 - 3-Pinanone

ChEBI IDCHEBI:171963
ChEBI Name3-Pinanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1C(=O)CC2CC1C2(C)C
InChIInChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKeyMQPHVIPKLRXGDJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
3-Pinanone (CHEBI:171963) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Manual XrefsDatabases
HMDB0035656HMDB
10570ChemSpider