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

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BOX A

	Properties	Image
MNX_ID	MNXM44643
reference	chebi:189013
formula	C₉H₁₀N₂O₂
global charge	0
mol weight	178.191
InChIKey	OUFUEOCARHOWCD-DAXSKMNVSA-N
InChI	InChI=1S/C9H10N2O2/c1-3-6-5(2)9(13)11-7(6)4-8(10)12/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-
SMILES	C=CC1=C(C)C(=O)N/C1=C\C(N)=O

MNX internals

InChI (mnx)	InChI=1/C9H10N2O2/c1-3-6-5(2)9(13)11-7(6)4-8(10)12/h3-4H,1H2,2H3,(H2,10,12)(H,11,13)/b7-4-
SMILES (mnx)	[CH2:1]=[CH:3][C:6]1=[C:5]([CH3:2])[C:9]([OH:13])=[N:11]/[C:7]1=[CH:4]\[C:8](=[NH:10])[OH:12]

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:189013 chebi:189013 OUFUEOCARHOWCD-DAXSKMNVSA-N	BOX A (2Z)-2-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)acetamide
hmdb:HMDB0004146 OUFUEOCARHOWCD-DAXSKMNVSA-N	BOX A 2-(3-Ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)-acetamide 2-[(2Z)-3-Ethenyl-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]ethanimidate 2-[(2Z)-3-ethenyl-4-methyl-5-oxo-1H-pyrrol-2-ylidene]acetamide 2-[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]acetamide 4-Methyl-5-oxo-3-vinyl-(1,5-dihydropyrrol-2-ylidene)acetamide
hmdb:HMDB04146	secondary/obsolete/fantasy identifier