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alpha-cadinene

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1370666

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

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

QMAYBMKBYCGXDH-KKUMJFAQSA-N

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1

SMILES

[CH3:1][CH:10]([CH3:2])[C@@H:13]1[CH2:8][CH:6]=[C:12]([CH3:4])[C@@H:14]2[CH2:7][CH2:5][C:11]([CH3:3])=[CH:9][C@@H:15]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80749 chebi:80749	alpha-cadinene (-)-alpha-cadinene (-)-cadina-4,9-diene (1S,4aR,8aR)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
kegg.compound:C16815 keggC:C16815	alpha-Cadinene
seed.compound:cpd16572 seedM:cpd16572	alpha-Cadinene (+)-alpha-cadinene
hmdb:HMDB0038205	alpha-Cadinene (-)-a-Cadinene (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene (4S,4aR,8aR)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydronaphthalene 1,2,4a,5,6,8a-hexahydro-4,7-Dimethyl-1-(1-methylethyl)-(1S,4ar,8ar)-naphthalene Cadina-4,9-diene, (-)- (8ci) a-Cadinene alpha-cadinene
hmdb:HMDB38205 keggC:M_C16815 seedM:M_cpd16572	secondary/obsolete/fantasy identifier