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

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5-epi-alpha-selinene

	Properties	Image
MNX_ID	MNXM5013
reference	chebi:63445
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	OZQAPQSEYFAMCY-RBSFLKMASA-N
InChI	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
SMILES	C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C)[C@H]2C1

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
SMILES (mnx)	[CH2:1]=[C:11]([CH3:2])[C@@H:13]1[CH2:7][CH2:9][C@@:15]2([CH3:4])[CH2:8][CH2:5][CH:6]=[C:12]([CH3:3])[C@H:14]2[CH2:10]1

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
Identifier	Description
CHEBI:63445 chebi:63445 OZQAPQSEYFAMCY-RBSFLKMASA-N	5-epi-alpha-selinene (2R,4aR,8aS)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene 5beta,7beta,10beta-eudesma-3,11-diene
seed.compound:cpd21396 seedM:cpd21396 OZQAPQSEYFAMCY-RBSFLKMASA-N	5-epi-alpha-Selinene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(prop-1-en-2-yl)naphthalene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(prop-1-en-2-yl)naphthalene 5-epi-alpha-selinene 5beta-Eudesma-3,11-diene 5beta-eudesma-3,11-diene 8a-epi-alpha-Selinene 8a-epi-alpha-selinene
kegg.compound:C20163 keggC:C20163 OZQAPQSEYFAMCY-RBSFLKMASA-N	5-epi-alpha-Selinene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(prop-1-en-2-yl)naphthalene 5beta-Eudesma-3,11-diene 8a-epi-alpha-Selinene
metacyc.compound:CPD-13858 metacycM:CPD-13858 OZQAPQSEYFAMCY-RBSFLKMASA-N	5-epi-alpha-selinene (2R,4aR,8aS)-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(prop-1-en-2-yl)naphthalene 5beta-eudesma-3,11-diene 8a-epi-alpha-selinene
keggC:M_C20163 seedM:M_cpd21396	secondary/obsolete/fantasy identifier