DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:28 UTC
Update Date	2025-03-21 18:00:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025402
Frequency	152.1
Structure
Chemical Formula	C₉H₁₁NO₆S
Molecular Mass	261.0307
SMILES	NC(Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)O
InChI Key	VXGXODOSTOUUBH-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 1-sulfo,2-unsubstituted aromatic compounds alpha amino acids amphetamines and derivatives arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids phenylalanine and derivatives phenylpropanoic acids sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid organosulfonic acid 1-hydroxy-2-unsubstituted benzenoid benzenesulfonate organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives benzenesulfonyl group tyrosine or derivatives 1-sulfo,2-unsubstituted aromatic compound aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl phenylalanine or derivatives organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00025402