DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:08 UTC
Update Date	2025-03-25 00:58:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233578
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁NO₆S
Molecular Mass	273.0307
SMILES	Cc1ccc(S(=O)(=O)O)cc1C(=O)NCC(=O)O
InChI Key	GBUUZOIQFCDJOC-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds alpha amino acids arylsulfonic acids and derivatives benzenesulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfonyls o-toluamides p-methylbenzenesulfonates
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid organosulfonic acid benzoyl benzenesulfonate organosulfur compound toluamide benzamide organic oxide o-toluamide organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group 1-sulfo,2-unsubstituted aromatic compound hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound p-methylbenzenesulfonate toluene organooxygen compound

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