DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:43 UTC
Update Date	2025-03-25 00:50:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180155
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₂O₅
Molecular Mass	240.0746
SMILES	Cc1cc(O)c([N+](=O)[O-])cc1CC(N)C(=O)O
InChI Key	OMUBULXJKGIQSR-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 alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives meta cresols monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes nitrophenols nitrotoluenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound 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 nitrobenzene nitroaromatic compound tyrosine or derivatives m-cresol nitrotoluene organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound toluene organooxygen compound organic hyponitrite

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