DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:57 UTC
Update Date	2025-03-25 00:53:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198827
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₂O₄S
Molecular Mass	272.0831
SMILES	NC(CCC(=O)NS(=O)(=O)O)Cc1ccccc1
InChI Key	YKYWKFBYUJZLMR-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organic sulfuric acids and derivatives organonitrogen compounds organopnictogen compounds
Substituents	monocyclic benzene moiety carbonyl group organic sulfuric acid or derivatives gamma amino acid or derivatives aromatic homomonocyclic compound organic oxide organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amphetamine or derivatives

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