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alpha-cadinene

PropertiesImage
MNX_IDMNXM723582 Image of MNXM723582
referencechebi:80749
formulaC15H24
global charge0
mol weight204.357
InChIKeyQMAYBMKBYCGXDH-KKUMJFAQSA-N
InChIInChI=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
SMILESCC1=C[C@@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM723582
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80749
chebi:80749
QMAYBMKBYCGXDH-KKUMJFAQSA-N 		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

metacyc.compound:CPD-8788
metacycM:CPD-8788
QMAYBMKBYCGXDH-KKUMJFAQSA-N 		(+)-alpha-cadinene

kegg.compound:C16815
keggC:C16815
QMAYBMKBYCGXDH-KKUMJFAQSA-N 		alpha-Cadinene

seed.compound:cpd16572
seedM:cpd16572
QMAYBMKBYCGXDH-KKUMJFAQSA-N 		alpha-Cadinene
(+)-alpha-cadinene
hmdb:HMDB0038205
QMAYBMKBYCGXDH-KKUMJFAQSA-N 		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