DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:34 UTC
Update Date	2025-03-21 18:28:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00073095
Frequency	40.8
Structure
Chemical Formula	C₁₃H₁₂N₂O₅S
Molecular Mass	308.0467
SMILES	Nc1ccc(C(=O)Nc2ccccc2OS(=O)(=O)O)cc1
InChI Key	YQKQUEDWOAEUNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	benzanilides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids and derivatives benzamides benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds phenoxy compounds phenylsulfates primary amines secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester benzanilide amino acid or derivatives benzoyl carboxylic acid derivative benzamide phenylsulfate organic oxide organonitrogen compound organopnictogen compound arylsulfate organic sulfuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound sulfate-ester hydrocarbon derivative primary amine organic nitrogen compound phenoxy compound sulfuric acid ester amine organooxygen compound

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