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(-)-alpha-thujone

MNXM819726 is deprecated and replaced by MNXM739859
PropertiesImage
MNX_IDMNXM739859 Image of MNXM739859
referencechebi:9577
formulaC10H16O
global charge0
mol weight152.237
InChIKeyUSMNOWBWPHYOEA-MRTMQBJTSA-N
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
SMILESCC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
MNX internals
InChI (mnx)InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 Image of MNXM739859
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[C@@:10]12[CH2:4][C@@H:8]1[C@@H:7]([CH3:3])[C:9](=[O:11])[CH2:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9577
chebi:9577
USMNOWBWPHYOEA-MRTMQBJTSA-N 		(-)-alpha-thujone
(-)-3-thujanone
(1S,4R,5R)-(-)-3-thujanone
(1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-thujan-3-one
Thujon
Thujone
[1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
alpha-thujone
l-thujone
hmdb:HMDB0036115
USMNOWBWPHYOEA-MRTMQBJTSA-N 		(-)-3-Isothujone
(+)-Thujone
(-)-3-Thujanone
(-)-Isothujone
(-)-Thujone
(-)-a-Thujone
(-)-alpha-Thujone
(-)-trans-Thujone
(1S,4R,5R)-(-)-3-Thujanone
(1S,4R,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-Thujan-3-one
3-Isothujone
3-Thujanone
Absinthol
L-Thujone
L-alpha-Thujone
Thujon
Thujone
[1S-(1a,4a,5a)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
[1S-(1alpha,4alpha,5alpha)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
[1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
a-Thujone
alpha, beta-Thujone
alpha-(-)-Thujone
alpha-Thujone
alpha-thujone
beta-Thujone
beta-Thujone, (1S-(1alpha,4alpha,5alpha))-isomer
beta-Thujone, (1alpha,4alpha,5alpha)-isomer
beta-Thujone, 1S-(1alpha,4beta,5alpha)-isomer
cis-Thujone
thujone

sabiork.compound:30600
sabiorkM:30600
USMNOWBWPHYOEA-MRTMQBJTSA-N 		(-)-alpha-Thujone

lipidmaps:LMPR0102120019
lipidmapsM:LMPR0102120019
USMNOWBWPHYOEA-MRTMQBJTSA-N 		(-)-alpha-Thujone
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4S,5R)-thujan-3-one

seed.compound:cpd06796
seedM:cpd06796
kegg.compound:C09906
keggC:C09906
USMNOWBWPHYOEA-MRTMQBJTSA-N 		Thujone
(-)-3-Isothujone
(-)-3-Thujanone

hmdb:HMDB36115
keggC:M_C09906
seedM:M_cpd06796 		secondary/obsolete/fantasy identifier