DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:42 UTC
Update Date	2025-03-25 00:48:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170900
Frequency	0.5
Structure
Chemical Formula	C₈H₉N₃O₃
Molecular Mass	195.0644
SMILES	CNc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChI Key	WNOSSDZXZJHRNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzamides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids and derivatives benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organooxygen compounds organopnictogen compounds phenylalkylamines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary alkylarylamines
Substituents	primary carboxylic acid amide amino acid or derivatives allyl-type 1,3-dipolar organic compound benzoyl carboxylic acid derivative benzamide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium nitrobenzene nitroaromatic compound organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound organic oxygen compound phenylalkylamine hydrocarbon derivative organic nitrogen compound amine organooxygen compound organic hyponitrite

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