DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:25 UTC
Update Date	2025-03-25 01:01:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250361
Frequency	0.5
Structure
Chemical Formula	C₉H₉NO₇S
Molecular Mass	275.01
SMILES	O=C(O)CNC(=O)c1cccc(S(=O)(=O)O)c1O
InChI Key	HHJDHFYJHDVEKL-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-hydroxy-4-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds alpha amino acids arylsulfonic acids and derivatives benzenesulfonic 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 salicylamides secondary carboxylic acid amides sulfonyls sulfosalicylic acids and derivatives vinylogous acids
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid organosulfonic acid benzoyl benzenesulfonate organosulfur compound benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfosalicylic acid or derivatives benzenesulfonyl group 1-sulfo,2-unsubstituted aromatic compound hippuric acid or derivatives benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine salicylamide aromatic homomonocyclic compound secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives salicylic acid or derivatives organic sulfonic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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