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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:132832 - (+)-α-gurjunene
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ChEBI Name
(+)-α-gurjunene
ChEBI ID
CHEBI:132832
ChEBI ASCII Name
(+)-alpha-gurjunene
Definition
A tricyclic sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1
H
-cyclopropa[
e
]azulene carrying four methyl substituents at positions 1, 1, 4 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C15H24
Net Charge
0
Average Mass
204.352
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
9-
6-
8-
12-
14(15(12,3)
4)
13-
10(2)
5-
7-
11(9)
13/h9,11-
12,14H,5-
8H2,1-
4H3/t9-
,11-
,12-
,14-
/m0/s1
InChIKey
SPCXZDDGSGTVAW-HVTMNAMFSA-N
SMILES
[C@@]12(C([C@]1(CC[C@@H]([C@]3(C2=C(CC3)C)[H])C)[H])(C)C)[H]
Metabolite of Species
Details
Conocephalum conicum
(NCBI:txid41839)
See: Phytochem., (1999), 51, 277
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
(+)-α-gurjunene (
CHEBI:132832
)
has role
plant metabolite (
CHEBI:76924
)
(+)-α-gurjunene (
CHEBI:132832
)
is a
carbotricyclic compound (
CHEBI:38032
)
(+)-α-gurjunene (
CHEBI:132832
)
is a
polycyclic olefin (
CHEBI:35714
)
(+)-α-gurjunene (
CHEBI:132832
)
is a
sesquiterpene (
CHEBI:35189
)
(+)-α-gurjunene (
CHEBI:132832
)
is enantiomer of
(−)-α-gurjunene (
CHEBI:61699
)
Incoming
(−)-α-gurjunene (
CHEBI:61699
)
is enantiomer of
(+)-α-gurjunene (
CHEBI:132832
)
IUPAC Name
(1a
S
,4
S
,4a
S
,7b
R
)-
1,1,4,7-
tetramethyl-
1a,2,3,4,4a,5,6,7b-
octahydro-
1
H
-
cyclopropa[
e
]azulene
Synonym
Source
(+)-alpha-Gurjunene
KNApSAcK
Manual Xref
Database
C00038071
KNApSAcK
View more database links
Registry Numbers
Types
Sources
67650-50-4
CAS Registry Number
KNApSAcK
6791884
Reaxys Registry Number
Reaxys
Last Modified
27 January 2017