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

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diuron

	Properties	Image
MNX_ID	MNXM724616
reference	chebi:116509
formula	C₉H₁₀Cl₂N₂O
global charge	0
mol weight	233.098
InChIKey	XMTQQYYKAHVGBJ-UHFFFAOYSA-N
InChI	InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES	CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
SMILES (mnx)	[CH3:1][N:13]([CH3:2])[C:9](=[N:12][C:6]1=[CH:5][C:8]([Cl:11])=[C:7]([Cl:10])[CH:4]=[CH:3]1)[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:116509 chebi:116509 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	diuron 1,1-dimethyl-3-(3,4-dichlorophenyl)urea 1-(3,4-dichlorophenyl)-3,3-dimethylurea 1-(3,4-dichlorophenyl)-3,3-dimethyluree 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff 3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea 3-(3,4-dichlorophenyl)-1,1-dimethylurea DCMU N'-(3,4-dichlorophenyl)-N,N-dimethylurea N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea N-(3,4-dichlorophenyl)-N',N'-dimethylurea
envipath:...fb07ee00527f envipathM:...fb07ee00527f envipath:...039595d9afc9 envipathM:...039595d9afc9 kegg.compound:C18428 keggC:C18428 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	Diuron
hmdb:HMDB0251497 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	Diuron 1,1-Dimethyl-3-(3,4-dichlorophenyl)urea 1-(3,4-Dichlorophenyl)-3,3-dimethylurea 1-(3,4-Dichlorophenyl)-3,3-dimethyluree 1-(3,4-dichlorophenyl)-3,3-dimethylurea 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff 3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea 3-(3,4-Dichlorophenyl)-1,1-dimethylurea DCMU N'-(3,4-dichlorophenyl)-N,N-dimethylurea N,N,-Dimethyl-n'-(3,4-dichlorophenyl)urea N-(3,4-Dichlorophenyl)-n',n'-dimethylurea dynex
seed.compound:cpd19692 seedM:cpd19692 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	Diuron 1,1-dimethyl-3-(3,4-dichlorophenyl)urea 1-(3,4-dichlorophenyl)-3,3-dimethylurea 3-(3,4-Dichlorophenyl)-1,1-dimethylurea diuron
envipath:...5d75abbaecd5 envipathM:...5d75abbaecd5 envipath:...531eb0c416b4 envipathM:...531eb0c416b4 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	Spike compound 0000243
envipath:...c061be7e8aca envipathM:...c061be7e8aca XMTQQYYKAHVGBJ-UHFFFAOYSA-N	compound 0054958
metacyc.compound:CPD-16775 metacycM:CPD-16775 XMTQQYYKAHVGBJ-UHFFFAOYSA-N	diuron 1,1-dimethyl-3-(3,4-dichlorophenyl)urea 1-(3,4-dichlorophenyl)-3,3-dimethylurea 3-(3,4-dichlorophenyl)-1,1-dimethylurea DCMU N'-(3,4-dichlorophenyl)-N,N-dimethylurea
keggC:M_C18428 seedM:M_cpd19692	secondary/obsolete/fantasy identifier