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

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1,3-diphenylurea

	Properties	Image
MNX_ID	MNXM32301
reference	chebi:41320
formula	C₁₃H₁₂N₂O
global charge	0
mol weight	212.252
InChIKey	GWEHVDNNLFDJLR-UHFFFAOYSA-N
InChI	InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
SMILES	O=C(NC1=CC=CC=C1)NC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:11]([N:14]=[C:13]([NH:15][C:12]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[OH:16])[CH:8]=[CH:4]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:41320 chebi:41320 GWEHVDNNLFDJLR-UHFFFAOYSA-N	1,3-diphenylurea 1,3-DIPHENYLUREA 1,3-diphenylcarbamide N,N'-diphenylurea N-phenyl-N'-phenylurea carbanilide diphenylcarbamide diphenylurea s-diphenylurea sym-diphenylurea
hmdb:HMDB0032066 GWEHVDNNLFDJLR-UHFFFAOYSA-N	Carbanilide 1, 3-Diphenylurea 1,3-Diphenyl-urea 1,3-Diphenylcarbamide 1,3-Diphenylurea 1,3-diphenylurea Acardite Acardite I BSU Centralite Diphenylcarbamide Diphenylurea Karbanilid N,N'-difenylmocovina N,N'-diphenyl-urea N,N'-diphenylurea N,N-Diphenylurea N-Phenyl-n'-phenylurea S-Diphenylurea Sym-diphenylurea Urea-based compound, 7 Zeonet u
hmdb:HMDB32066	secondary/obsolete/fantasy identifier