DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:23 UTC
Update Date	2025-03-21 18:36:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00111271
Frequency	23.9
Structure
Chemical Formula	C₇H₇NO₅S
Molecular Mass	217.0045
SMILES	Nc1c(O)cccc1C(=O)S(=O)(=O)O
InChI Key	AFNHVWNYFXZUHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzoic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acylsulfonic acids amino acids and derivatives benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives organic oxides organic sulfonic acids and derivatives organooxygen compounds organopnictogen compounds primary amines sulfonyls thiobenzoic acids and derivatives thiolactones vinylogous amides
Substituents	acylsulfonic acid amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound thiolactone thiobenzoic acid or derivatives vinylogous amide acylsulfonic acid or derivatives benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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