| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O5S |
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| Molecular Mass | 322.0623 |
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| SMILES | O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccc(O)nc2c1 |
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| InChI Key | APPPWSUMYVTNKT-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespolyhalopyridinespyrrolidine carboxylic acidsquinolones and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidpolyhalopyridineorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridinepyrrolidineorganoheterocyclic compoundproline or derivativesquinoloneazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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