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CHEBI:35710 - pinane

ChEBI IDCHEBI:35710
ChEBI Namepinane
Stars
DefinitionA monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6.
Last Modified8 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18
Net Charge0
Average Mass138.254
Monoisotopic Mass138.14085
SMILESCC1CCC2CC1C2(C)C
InChIInChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyXOKSLPVRUOBDEW-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pinane (CHEBI:35710) has role plant metabolite (CHEBI:76924)
pinane (CHEBI:35710) is a carbobicyclic compound (CHEBI:36785)
pinane (CHEBI:35710) is a monoterpene (CHEBI:35187)
pinane (CHEBI:35710) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
pinane monoterpenoid (CHEBI:26133) has parent hydride pinane (CHEBI:35710)
pinene (CHEBI:17187) has parent hydride pinane (CHEBI:35710)
IUPAC Names 
pinane
2,6,6-trimethylbicyclo[3.1.1]heptane
Synonym  Source
dihydropineneNIST Chemistry WebBook
Manual XrefsDatabases
LMPR0102120026LIPID MAPS
Registry NumbersSources
Reaxys:1847301Reaxys
CAS:473-55-2ChemIDplus
CAS:473-55-2NIST Chemistry WebBook