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

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alpha-muurolene

MNXM13427 is deprecated and here replaced by MNXM728108
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM728108
reference	chebi:64797
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	QMAYBMKBYCGXDH-ZNMIVQPWSA-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	CC1=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
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)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64797 chebi:64797 QMAYBMKBYCGXDH-ZNMIVQPWSA-N	alpha-muurolene (1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene (1S,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene Muurolene
metacyc.compound:CPD-8798 metacycM:CPD-8798 QMAYBMKBYCGXDH-ZNMIVQPWSA-N	(+)-alpha-muurolene
seed.compound:cpd25428 seedM:cpd25428 QMAYBMKBYCGXDH-ZNMIVQPWSA-N	(+)-alpha-muurolene (+)-alpha-Muurolene alpha-Muurolene
kegg.compound:C20272 keggC:C20272 QMAYBMKBYCGXDH-ZNMIVQPWSA-N	alpha-Muurolene (+)-alpha-Muurolene
keggC:M_C20272 seedM:M_cpd25428	secondary/obsolete/fantasy identifier