| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:06 UTC |
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| Update Date | 2025-03-21 18:41:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134284 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C9H11ClN2O4S |
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| Molecular Mass | 278.0128 |
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| SMILES | NC(Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)O |
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| InChI Key | BGLDJZSMUGUESJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsamphetamines and derivativesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenylpropanoic acids |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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