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

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antipyrine

	Properties	Image
MNX_ID	MNXM10720
reference	chebi:31225
formula	C₁₁H₁₂N₂O
global charge	0
mol weight	188.23
InChIKey	VEQOALNAAJBPNY-UHFFFAOYSA-N
InChI	InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES	CC1=CC(=O)N(C2=CC=CC=C2)N1C

MNX internals

InChI (mnx)	InChI=1/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES (mnx)	[CH3:1][C:9]1=[CH:8][C:11](=[O:14])[N:13]([C:10]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[N:12]1[CH3:2]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31225 chebi:31225 VEQOALNAAJBPNY-UHFFFAOYSA-N	antipyrine 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 2,3-Dimethyl-1-phenyl-5-pyrazolone Antipyrine Phenazone fenazona phenazone phenazonum
bigg.metabolite:antipyrene biggM:antipyrene VEQOALNAAJBPNY-UHFFFAOYSA-N	Antipyrene c
kegg.drug:D01776 keggD:D01776 VEQOALNAAJBPNY-UHFFFAOYSA-N	Antipyrine (JP18/USP) Phenazone (INN)
hmdb:HMDB0015503 VEQOALNAAJBPNY-UHFFFAOYSA-N	Antipyrine 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 2,3-Dimethyl-1-phenyl-5-pyrazolone Analgesine Anodynin Anodynine Antipirin Antipyrin Antipyrinum Azophen Azophenum Fenazona Fenazone Phenazone Phenazonum Phenozone Pyramidone antipyrine
seed.compound:cpd19134 seedM:cpd19134 kegg.compound:C13244 keggC:C13244 VEQOALNAAJBPNY-UHFFFAOYSA-N	Antipyrine Phenazone
metacyc.compound:CPD-25137 metacycM:CPD-25137 VEQOALNAAJBPNY-UHFFFAOYSA-N	antipyrine 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 2,3-Dimethyl-1-phenyl-5-pyrazolone fenazona phenazone phenazonum
vmhM:antipyrene vmhmetabolite:antipyrene VEQOALNAAJBPNY-UHFFFAOYSA-N	antipyrine 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
hmdb:HMDB15503 biggM:M_antipyrene keggC:M_C13244 keggD:M_D01776 seedM:M_cpd19134 vmhM:M_antipyrene	secondary/obsolete/fantasy identifier