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

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ricinine

	Properties	Image
MNX_ID	MNXM4807
reference	chebi:18043
formula	C₈H₈N₂O₂
global charge	0
mol weight	164.164
InChIKey	PETSAYFQSGAEQY-UHFFFAOYSA-N
InChI	InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
SMILES	COC1=C(C#N)C(=O)N(C)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
SMILES (mnx)	[CH3:1][N:10]1[CH:4]=[CH:3][C:7]([O:12][CH3:2])=[C:6]([C:5]#[N:9])[C:8]1=[O:11]

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:18043 chebi:18043 PETSAYFQSGAEQY-UHFFFAOYSA-N	ricinine 1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridimecarbonitrile 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile Ricinine
kegg.compound:C01526 keggC:C01526 PETSAYFQSGAEQY-UHFFFAOYSA-N	Ricinine
hmdb:HMDB0042006 PETSAYFQSGAEQY-UHFFFAOYSA-N	Ricinine 1,2-Dihydro-4-methoxy-1-methyl-2-oxo-3-pyridimecarbonitrile 1,2-Dihydro-4-methoxy-1-methyl-2-oxo-nicotinonitrile 1,2-Dihydro-4-methoxy-1-methyl-2-oxonicotinonitrile 3-Cyano-4-methoxy-N-methyl-2-pyridone 4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile Ricidine Ricinin Ritsinin ricinine
seed.compound:cpd01076 seedM:cpd01076 PETSAYFQSGAEQY-UHFFFAOYSA-N	Ricinine 1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridimecarbonitrile 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile ricinine
metacyc.compound:RICININE metacycM:RICININE PETSAYFQSGAEQY-UHFFFAOYSA-N	ricinine 1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridimecarbonitrile 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
hmdb:HMDB42006 chebi:15052 chebi:26574 chebi:8853 keggC:M_C01526 seedM:M_cpd01076	secondary/obsolete/fantasy identifier