| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:02 UTC |
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| Update Date | 2025-03-21 18:05:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057516 |
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| Frequency | 55.1 |
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| Structure | |
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| Chemical Formula | C12H13NO6S |
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| Molecular Mass | 299.0464 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1 |
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| InChI Key | RLEDQUATDGICIA-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrrolidine carboxylic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylorganosulfur compoundorganosulfonic acid amideorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidpyrrolidineorganoheterocyclic compoundbenzenesulfonyl groupproline or derivativesbenzenesulfonamideazacyclebenzoic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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