DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:09 UTC
Update Date	2025-03-25 01:00:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245147
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁N₃O₄
Molecular Mass	237.075
SMILES	CNC(=C[N+](=O)[O-])Nc1ccccc1C(=O)O
InChI Key	WAHPLKQMTXYBLS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids benzoyl derivatives c-nitro compounds dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organooxygen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alkylarylamines vinylogous amides
Substituents	carboxylic acid amino acid or derivatives amino acid allyl-type 1,3-dipolar organic compound benzoyl carboxylic acid derivative organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound organic oxoazanium benzoic acid vinylogous amide secondary aliphatic amine organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine organic hyponitrite

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