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(-)-alpha-thujone

Properties

Image

Occurences in reactions

MNX_ID

MNXM739859

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₀H₁₆O

charge

mass

152.12012

reference

chebi:9577

InChIKey

USMNOWBWPHYOEA-MRTMQBJTSA-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:9577 chebi:9577	(-)-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	(-)-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-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4R,5R)-Thujan-3-one 3-Isothujone 3-Thujanone 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	(-)-alpha-Thujone
lipidmaps:LMPR0102120019 lipidmapsM:LMPR0102120019	Thujone
seed.compound:cpd06796 seedM:cpd06796 kegg.compound:C09906 keggC:C09906	Thujone (-)-3-Isothujone (-)-3-Thujanone
hmdb:HMDB36115 keggC:M_C09906 seedM:M_cpd06796	secondary/obsolete/fantasy identifier