MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(1S,8aR)-delta-cadinene

	Properties	Image
MNX_ID	MNXM2744
reference	chebi:15385
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	FUCYIEXQVQJBKY-ZFWWWQNUSA-N
InChI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
SMILES	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[C@@H:13]1[CH2:8][CH2:6][C:12]([CH3:4])=[C: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)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15385 chebi:15385 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	(1S,8aR)-delta-cadinene (+)-delta-Cadinene (+)-delta-cadinene (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene cadina-1(10),4-diene delta-amorphene delta-cadinene
hmdb:HMDB0035084 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	(+)-1(10),4-Cadinadiene (+)-1S,8AR-cadina-1(10),4-diene (+)-D-Cadinene (+)-delta-Cadinene (+)-delta-cadinene (+/-)-delta-Cadinene (1S,8AR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene (1S,8AR)-delta-cadinene (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene 1,2,3,5,6,8a-hexahydro-4,7-Dimethyl-1-(1-methylethyl)-(1S,8ar)-naphthalene Cadina-1(10),4-diene D-Cadinene Dysoxylonen Dysoxylonene delta-Amorphene delta-Cadinene delta-Cardinene delta-amorphene delta-cadinene
lipidmaps:LMPR0103330001 lipidmapsM:LMPR0103330001 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	(+)-delta-Cadinene
seed.compound:cpd03829 seedM:cpd03829 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	(+)-delta-Cadinene (+)-delta-cadinene (1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene delta-Cadinene
metacyc.compound:CPD-1722 metacycM:CPD-1722 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	(+)-delta-cadinene (1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene
kegg.compound:C06394 keggC:C06394 FUCYIEXQVQJBKY-ZFWWWQNUSA-N	delta-Cadinene (+)-delta-Cadinene
hmdb:HMDB35084 chebi:10750 chebi:18458 chebi:56 keggC:M_C06394 seedM:M_cpd03829	secondary/obsolete/fantasy identifier