DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:19 UTC
Update Date	2025-03-21 18:28:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070099
Frequency	43.0
Structure
Chemical Formula	C₁₀H₁₂N₂O₅
Molecular Mass	240.0746
SMILES	COC(=O)C(N)Cc1ccc(O)c([N+](=O)[O-])c1
InChI Key	WMZFQRWZCGEEOA-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 acid esters alpha amino acids amphetamines and derivatives carbonyl compounds fatty acid esters hydrocarbon derivatives methyl esters 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
Substituents	fatty acyl monocyclic benzene moiety carbonyl group allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide methyl ester 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 ester organic 1,3-dipolar compound aromatic homomonocyclic compound fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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