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(-)-beta-thujone

Properties

Image

Occurences in reactions

MNX_ID

MNXM30261

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₀H₁₆O

charge

mass

152.12012

reference

InChIKey

USMNOWBWPHYOEA-KHQFGBGNSA-N

InChI

InChI=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

SMILES

CC(C)[C@@]12CC(=O)[C@H](C)[C@@H]1C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50046 chebi:50046	(-)-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	(-)-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	(-)-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	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 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	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