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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:35709 - thujane
Main
ChEBI Ontology
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ChEBI Name
thujane
ChEBI ID
CHEBI:35709
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C10H18
Net Charge
0
Average Mass
138.24992
Monoisotopic Mass
138.14085
InChI
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
InChIKey
GCTNBVHDRFKLLK-UHFFFAOYSA-N
SMILES
CC(C)C12CCC(C)C1C2
ChEBI Ontology
Outgoing
thujane (
CHEBI:35709
)
is a
monoterpene (
CHEBI:35187
)
thujane (
CHEBI:35709
)
is a
terpenoid fundamental parent (
CHEBI:35662
)
Incoming
thujane monoterpenoid (
CHEBI:50041
)
has parent hydride
thujane (
CHEBI:35709
)
thujene (
CHEBI:50030
)
has parent hydride
thujane (
CHEBI:35709
)
IUPAC Names
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
thujane
Synonyms
Sources
1-isopropyl-4-methylbicyclo[3.1.0]hexane
IUPAC
4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane
NIST Chemistry WebBook
dihydrosabinene
NIST Chemistry WebBook
Manual Xref
Database
LMPR0102120029
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2496757
Beilstein Registry Number
Beilstein
471-12-5
CAS Registry Number
NIST Chemistry WebBook
471-12-5
CAS Registry Number
ChemIDplus
Last Modified
23 May 2008