DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:27 UTC
Update Date	2025-03-25 00:47:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161178
Frequency	0.5
Structure
Chemical Formula	C₉H₁₁N₂O₇S+
Molecular Mass	291.0281
SMILES	NC(Cc1ccc(O)c([N+](=O)S(=O)(=O)O)c1)C(=O)O
InChI Key	JUACGQDBMXECGC-UHFFFAOYSA-O
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 monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organic oxoazanium compounds organic sulfuric acids and derivatives organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids sulfanilides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic oxoazanium amphetamine or derivatives organic sulfuric acid or derivatives tyrosine or derivatives aromatic homomonocyclic compound sulfanilide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02161178