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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:35710 - pinane
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ChEBI Name
pinane
ChEBI ID
CHEBI:35710
Definition
A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C10H18
Net Charge
0
Average Mass
138.24992
Monoisotopic Mass
138.14085
InChI
InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey
XOKSLPVRUOBDEW-UHFFFAOYSA-N
SMILES
CC1CCC2CC1C2(C)C
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
pinane monoterpenoid (
CHEBI:26133
)
has parent hydride
pinane (
CHEBI:35710
)
pinene (
CHEBI:17187
)
has parent hydride
pinane (
CHEBI:35710
)
IUPAC Names
2,6,6-trimethylbicyclo[3.1.1]heptane
pinane
Synonym
Source
dihydropinene
NIST Chemistry WebBook
Manual Xref
Database
LMPR0102120026
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1847301
Reaxys Registry Number
Reaxys
1847301
Beilstein Registry Number
Beilstein
473-55-2
CAS Registry Number
NIST Chemistry WebBook
473-55-2
CAS Registry Number
ChemIDplus
Last Modified
08 May 2014