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(-)-beta-thujone

PropertiesImage
MNX_IDMNXM30261 Image of MNXM30261
referencechebi:50046
formulaC10H16O
global charge0
mol weight152.237
InChIKeyUSMNOWBWPHYOEA-KHQFGBGNSA-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 MNXM30261
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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50046
chebi:50046
USMNOWBWPHYOEA-KHQFGBGNSA-N 		(-)-beta-thujone
(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-thujan-3-one
hmdb:HMDB0036114
USMNOWBWPHYOEA-KHQFGBGNSA-N 		(-)-3-Thujone
(-)-Isothujone
(-)-b-Thujone
(-)-beta-Thujone
(-)-beta-thujone
(-)-cis-Thujone
(1R,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
L-Isothujone

lipidmaps:LMPR0102120040
lipidmapsM:LMPR0102120040
USMNOWBWPHYOEA-KHQFGBGNSA-N 		(-)-beta-thujone
(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1R,4R,5S)-thujan-3-one
hmdb:HMDB0041631
USMNOWBWPHYOEA-UHFFFAOYSA-N 		3-Thujanone
(+)-Thujone
(+-)-Isothujone
(+-)-Thujone
(-)-Thujone
1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
3-Isothujone
3-Sabinanone
3-isothujone
4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, 9ci
4-Methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
Absinthone
Chrysanthone
Salvone
Tanacetone
Thujone
alpha, beta-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

CHEBI:50040
chebi:50040
USMNOWBWPHYOEA-UHFFFAOYSA-N 		thujone
3-thujanone
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
thujan-3-one

hmdb:HMDB36114
hmdb:HMDB41631 		secondary/obsolete/fantasy identifier