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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:36756 - farnesane
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ChEBI Ontology
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ChEBI Name
farnesane
ChEBI ID
CHEBI:36756
Definition
A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H32
Net Charge
0
Average Mass
212.41458
Monoisotopic Mass
212.25040
InChI
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKey
YFHFHLSMISYUAQ-UHFFFAOYSA-N
SMILES
CCC(C)CCCC(C)CCCC(C)C
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
See:
MetaboLights Study
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
farnesane (
CHEBI:36756
)
has role
plant metabolite (
CHEBI:76924
)
farnesane (
CHEBI:36756
)
is a
alkane (
CHEBI:18310
)
farnesane (
CHEBI:36756
)
is a
sesquiterpene (
CHEBI:35189
)
Incoming
2,6,10-trimethyldodeca-2,6,10-triene (
CHEBI:36534
)
has parent hydride
farnesane (
CHEBI:36756
)
farnesane sesquiterpenoid (
CHEBI:36757
)
has parent hydride
farnesane (
CHEBI:36756
)
IUPAC Name
2,6,10-trimethyldodecane
Synonyms
Sources
Farnesan
NIST Chemistry WebBook
farnesane
NIST Chemistry WebBook
Manual Xrefs
Databases
CPD-8764
MetaCyc
LMPR0103010000
LIPID MAPS
US2008098645
Patent
US7399323
Patent
View more database links
Registry Numbers
Types
Sources
1719672
Reaxys Registry Number
Reaxys
1719672
Beilstein Registry Number
Beilstein
3891-98-3
CAS Registry Number
ChemIDplus
3891-98-3
CAS Registry Number
NIST Chemistry WebBook
Last Modified
04 March 2015