EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171922 - Carvotanacetone

ChEBI IDCHEBI:171922
ChEBI NameCarvotanacetone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1=CC[C@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChIKeyWPGPCDVQHXOMQP-VIFPVBQESA-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)
Carvotanacetone (CHEBI:171922) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
Manual XrefsDatabases
4937720ChemSpider
HMDB0059875HMDB