| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:55 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198757 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O3S |
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| Molecular Mass | 309.1147 |
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| SMILES | CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 |
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| InChI Key | UNUIIEYFRMYDKJ-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineslactamsn-methylpiperazinesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidessulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtetrahydroquinolinetertiary aminetetrahydroquinoloneazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinecarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivatives1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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