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CHEBI:171987 - (-)-Isopinocamphone

ChEBI IDCHEBI:171987
ChEBI Name(-)-Isopinocamphone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILES[H][C@]12CC(=O)[C@@H](C)[C@]([H])(C1)C2(C)C
InChIInChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyMQPHVIPKLRXGDJ-RNJXMRFFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(-)-Isopinocamphone (CHEBI:171987) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Manual XrefsDatabases
HMDB0035744HMDB
19953543ChemSpider
Registry NumbersSources
CAS:14575-93-0ChemIDplus