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

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dyclonine

	Properties	Image
MNX_ID	MNXM51729
reference	chebi:4724
formula	C₁₈H₂₇NO₂
global charge	0
mol weight	289.419
InChIKey	BZEWSEKUUPWQDQ-UHFFFAOYSA-N
InChI	InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
SMILES	CCCCOC1=CC=C(C(=O)CCN2CCCCC2)C=C1

MNX internals

InChI (mnx)	InChI=1/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:15][O:21][C:17]1=[CH:10][CH:8]=[C:16]([C:18]([CH2:11][CH2:14][N:19]2[CH2:12][CH2:5][CH2:4][CH2:6][CH2:13]2)=[O:20])[CH:7]=[CH:9]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4724 chebi:4724 BZEWSEKUUPWQDQ-UHFFFAOYSA-N	dyclonine 1-(4-butoxyphenyl)-3-(1-piperidinyl)-1-propanone 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one 2-(1-piperidyl)ethyl p-butoxyphenyl ketone 3-piperidino-4'-butoxypropiophenone 4'-butoxy-3-piperidinopropiophenone 4-butoxy-beta-piperidinopropiophenone 4-n-butoxy-beta-(1-piperidyl)propiophenone diclonina dycloninum
seed.compound:cpd04946 seedM:cpd04946 kegg.compound:C07881 keggC:C07881 BZEWSEKUUPWQDQ-UHFFFAOYSA-N BZEWSEKUUPWQDQ-UHFFFAOYSA-O	Dyclonine
kegg.drug:D07881 keggD:D07881 BZEWSEKUUPWQDQ-UHFFFAOYSA-N	Dyclonine (INN)
hmdb:HMDB0014783 BZEWSEKUUPWQDQ-UHFFFAOYSA-N	Dyclonine 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one 2-(1-Piperidyl)ethyl p-butoxyphenyl ketone 3-Piperidino-4'-butoxypropiophenone 4'-Butoxy-3-piperidinopropiophenone 4-Butoxy-b-piperidinopropiophenone 4-Butoxy-beta-piperidinopropiophenone 4-N-Butoxy-b-(1-piperidyl)propiophenone 4-N-Butoxy-beta-(1-piperidyl)propiophenone Diclonina Dyclone Dyclonine HCL Dyclonine hydrochloride Dycloninum Sucrets Tanac dyclonine
hmdb:HMDB14783 keggC:M_C07881 keggD:M_D07881 seedM:M_cpd04946	secondary/obsolete/fantasy identifier