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

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beta-cadinene

MNXM723627 is deprecated and here replaced by MNXM739743
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM739743
reference	chebi:27723
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	USDOQCCMRDNVAH-KKUMJFAQSA-N
InChI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
SMILES	CC1=CC[C@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/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][CH:5]=[C:11]([CH3:3])[CH2:9][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
Identifier	Description
CHEBI:27723 chebi:27723 USDOQCCMRDNVAH-KKUMJFAQSA-N	beta-cadinene (-)-beta-cadinene (1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene beta-Cadinene cadina-3,9-diene
metacyc.compound:CPD-8789 metacycM:CPD-8789 USDOQCCMRDNVAH-KKUMJFAQSA-N	(+)-beta-cadinene
kegg.compound:C09625 keggC:C09625 lipidmaps:LMPR0103330003 lipidmapsM:LMPR0103330003 USDOQCCMRDNVAH-KKUMJFAQSA-N	beta-Cadinene
seed.compound:cpd06519 seedM:cpd06519 USDOQCCMRDNVAH-KKUMJFAQSA-N	beta-Cadinene (+)-beta-cadinene
hmdb:HMDB0041576 USDOQCCMRDNVAH-KKUMJFAQSA-N	beta-Cadinene (-)-b-Cadinene (-)-beta-Cadinene (-)-beta-cadinene (1S,4AR,8as)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene (1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene Cadina-3,9-diene b-Cadinene beta-cadinene
hmdb:HMDB41576 chebi:10354 chebi:22833 keggC:M_C09625 seedM:M_cpd06519	secondary/obsolete/fantasy identifier