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CHEBI:50042 - α-thujone
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ChEBI Ontology
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ChEBI Name
α-thujone
ChEBI ID
CHEBI:50042
ChEBI ASCII Name
alpha-thujone
Definition
The
rel
-(1
R
,4
S
,5
S
)-stereoisomer of thujone.
Stars
This entity has been manually annotated by the ChEBI Team.
Formula
C10H16O
Net Charge
0
Average Mass
152.234
Monoisotopic Mass
152.12012
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
thujone
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
α-thujone (
CHEBI:50042
)
is a
thujone (
CHEBI:50040
)
Incoming
(−)-α-thujone (
CHEBI:9577
)
is a
α-thujone (
CHEBI:50042
)
(+)-α-thujone (
CHEBI:50043
)
is a
α-thujone (
CHEBI:50042
)
IUPAC Names
rel
-(1
R
,4
S
,5
S
)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
rel
-(1
R
,4
S
,5
S
)-thujan-3-one
Synonym
Source
rel
-(1
R
,4
S
,5
S
)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
IUPAC
Registry Number
Type
Source
3934892
Beilstein Registry Number
Beilstein
Last Modified
19 March 2014