DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:39 UTC
Update Date	2025-03-21 18:06:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063694
Frequency	48.4
Structure
Chemical Formula	C₁₁H₁₃N₃O₆
Molecular Mass	283.0804
SMILES	NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)NCC(=O)O
InChI Key	JCPOJFQQVJFJEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids dipeptides fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha peptide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium nitrophenol amphetamine or derivatives nitrobenzene nitroaromatic compound tyrosine or derivatives alpha-amino acid amide organic 1,3-dipolar compound carboxamide group n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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