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

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Cadalene

	Properties	Image
MNX_ID	MNXM16489
reference	chebi:89476
formula	C₁₅H₁₈
global charge	0
mol weight	198.309
InChIKey	VMOJIHDTVZTGDO-UHFFFAOYSA-N
InChI	InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
SMILES	CC1=CC2=C(C(C)C)C=CC(C)=C2C=C1

MNX internals

InChI (mnx)	InChI=1/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[C:13]1=[C:15]2[CH:9]=[C:11]([CH3:3])[CH:5]=[CH:7][C:14]2=[C:12]([CH3:4])[CH:6]=[CH:8]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:89476 chebi:89476 VMOJIHDTVZTGDO-UHFFFAOYSA-N	Cadalene 1,6-dimethyl-4-(propan-2-yl)naphthalene 4-Isopropyl-1,6-dimethylnaphthalene
hmdb:HMDB0059698 VMOJIHDTVZTGDO-UHFFFAOYSA-N	Cadalene 1,6-dimethyl-4-(propan-2-yl)naphthalene cadalene
lipidmaps:LMPR0103330007 lipidmapsM:LMPR0103330007 VMOJIHDTVZTGDO-UHFFFAOYSA-N	Cadalene 4-Isopropyl-1,6-dimethylnaphthalene
metacyc.compound:CPD-8806 metacycM:CPD-8806 seed.compound:cpd25433 seedM:cpd25433 VMOJIHDTVZTGDO-UHFFFAOYSA-N	cadalene
hmdb:HMDB59698 seedM:M_cpd25433	secondary/obsolete/fantasy identifier