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CHEBI:68666 - (−)-α-isocomene
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ChEBI Name
(−)-α-isocomene
ChEBI ID
CHEBI:68666
ChEBI ASCII Name
(-)-alpha-isocomene
Definition
A tricyclic sesquiterpene that is 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[
c
]pentalene bearing four methyl substituents at positions 1, 3a, 4 and 5a.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C15H24
Net Charge
0
Average Mass
204.35110
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
11-
6-
9-
14(4)
12(2)
10-
13(3)
7-
5-
8-
15(11,13)
14/h10-
11H,5-
9H2,1-
4H3/t11-
,13+,14+,15-
/m1/s1
InChIKey
SAOJPWFHRMUCFN-UQOMUDLDSA-N
SMILES
C[C@@H]1CC[C@@]2(C)C(C)=C[C@]3(C)CCC[C@]123
Metabolite of Species
Details
Matricaria chamomilla
var.
recutita
(NCBI:txid127986)
See:
PubMed
Roles Classification
Biological Role
(s):
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
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
(−)-α-isocomene (
CHEBI:68666
)
has role
plant metabolite (
CHEBI:76924
)
(−)-α-isocomene (
CHEBI:68666
)
has role
volatile oil component (
CHEBI:27311
)
(−)-α-isocomene (
CHEBI:68666
)
is a
carbotricyclic compound (
CHEBI:38032
)
(−)-α-isocomene (
CHEBI:68666
)
is a
sesquiterpene (
CHEBI:35189
)
IUPAC Name
(1
R
,3a
S
,5a
S
,8a
R
)-
1,3a,4,5a-
tetramethyl-
1,2,3,3a,5a,6,7,8-
octahydrocyclopenta[
c
]pentalene
Synonyms
Sources
(−)-α-isocomene
UniProt
(−)-isocomene
LIPID MAPS
Manual Xref
Database
LMPR0103760002
LIPID MAPS
View more database links
Registry Number
Type
Source
2249036
Reaxys Registry Number
Reaxys
Citation
Type
Source
22682202
PubMed citation
SUBMITTER
Last Modified
25 March 2015