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

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beta-cubebene

MNXM165249 is deprecated and here replaced by MNXM731139
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM731139
reference	chebi:10363
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	FSRZGYRCMPZNJF-KHMAMNHCSA-N
InChI	InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
SMILES	C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
SMILES (mnx)	[CH3:1][CH:9]([CH3:2])[C@@H:12]1[CH2:6][CH2:5][C@@H:11]([CH3:4])[C@@:15]23[CH2:8][CH2:7][C:10](=[CH2:3])[C@@H:13]2[C@@H:14]13

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10363 chebi:10363 FSRZGYRCMPZNJF-KHMAMNHCSA-N	beta-cubebene (-)-beta-cubebene (3aS,3bR,4S,7R,7aR)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene (3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene
metacyc.compound:CPD-8803 metacycM:CPD-8803 FSRZGYRCMPZNJF-WQGXVZNYSA-N	(-)-beta-cubebene
sabiork.compound:11737 sabiorkM:11737 kegg.compound:C09648 keggC:C09648 FSRZGYRCMPZNJF-KHMAMNHCSA-N	beta-Cubebene
hmdb:HMDB0061853 FSRZGYRCMPZNJF-KHMAMNHCSA-N	beta-Cubebene (-)-b-Cubebene (-)-beta-Cubebene (-)-beta-cubebene (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]decane (3AS-(3aalpha,3bbata,4S,7R,7as))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzene (3AS-(3aalpha,3bbata,4b,7a,7aa))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene (3AS-(3aalpha,3bbata,4b,7a,7as))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene (3AS-(3aalpha,3bbata,4beta,7alpha,7as))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene b-Cubebene beta-cubebene
seed.compound:cpd06542 seedM:cpd06542 FSRZGYRCMPZNJF-KHMAMNHCSA-N	beta-Cubebene (-)-beta-cubebene
hmdb:HMDB61853 keggC:M_C09648 seedM:M_cpd06542	secondary/obsolete/fantasy identifier