DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:17 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179167
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₄NO₆S+
Molecular Mass	276.0536
SMILES	C[N+](C)(C(C(=O)O)c1ccc(O)cc1)S(=O)(=O)O
InChI Key	ZTGNLGVZFIJSIH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic sulfuric acids and derivatives organonitrogen compounds organopnictogen compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid organic sulfuric acid or derivatives 1-hydroxy-2-unsubstituted benzenoid aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organic cation organooxygen compound

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