DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:34 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184321
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₃O₅
Molecular Mass	269.1012
SMILES	NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)NCCO
InChI Key	VJMDMOSMMKDYCG-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alcohols and polyols alkanolamines alpha amino acid amides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-acylethanolamines 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
Substituents	fatty acyl monocyclic benzene moiety carbonyl group allyl-type 1,3-dipolar organic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid 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 alkanolamine nitrobenzene nitroaromatic compound alcohol tyrosine or derivatives alpha-amino acid amide organic 1,3-dipolar compound carboxamide group n-acylethanolamine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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