Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:40:47 UTC |
---|
Update Date | 2025-03-25 00:46:49 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02157535 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C17H17NO6S |
---|
Molecular Mass | 363.0777 |
---|
SMILES | O=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 |
---|
InChI Key | JCAKUSMFBPFSGC-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | benzenoids |
---|
Class | benzene and substituted derivatives |
---|
Subclass | benzenesulfonamides |
---|
Direct Parent | benzenesulfonamides |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
---|
Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
---|