| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:23 UTC |
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| Update Date | 2025-03-21 18:04:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049075 |
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| Frequency | 67.3 |
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| Structure | |
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| Chemical Formula | C11H14N2O4S |
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| Molecular Mass | 270.0674 |
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| SMILES | Nc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1 |
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| InChI Key | XTPPHZWDRNGVTM-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 acidsamino acidsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminespyrrolidine carboxylic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundorganosulfonic acid amideorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundbenzenesulfonyl groupproline or derivativesbenzenesulfonamideazacyclemonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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