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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:62756 - (−)-
exo
-α-bergamotene
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ChEBI Name
(−)-
exo
-α-bergamotene
ChEBI ID
CHEBI:62756
ChEBI ASCII Name
(-)-exo-alpha-bergamotene
Definition
An α-bergamotene that has (1
S
,5
S
,6
R
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24
Net Charge
0
Average Mass
204.35110
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
11(2)
6-
5-
9-
15(4)
13-
8-
7-
12(3)
14(15)
10-
13/h6-
7,13-
14H,5,8-
10H2,1-
4H3/t13-
,14-
,15+/m0/s1
InChIKey
YMBFCQPIMVLNIU-SOUVJXGZSA-N
SMILES
CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2
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.
(via
alpha-bergamotene
)
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via
alpha-bergamotene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(−)-
exo
-α-bergamotene (
CHEBI:62756
)
is a
α-bergamotene (
CHEBI:62755
)
IUPAC Name
(1
S
,5
S
,6
R
)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
Synonyms
Sources
(−)-
trans
-α-bergamotene
ChEBI
(1
S
,5
S
,6
R
)-α-bergamotene
UniProt
Registry Number
Type
Source
2207726
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16418295
PubMed citation
Europe PMC
17662687
PubMed citation
Europe PMC
Last Modified
20 September 2021