| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO5S |
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| Molecular Mass | 257.0358 |
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| SMILES | O=C(O)C1CCc2c(cccc2S(=O)(=O)O)N1 |
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| InChI Key | JSZAFJWXYWRHLZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalpha amino acidsamino acidsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfonic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinoline1-sulfo,2-unsubstituted aromatic compoundazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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