| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO5 |
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| Molecular Mass | 247.0481 |
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| SMILES | O=C(O)C(=O)CC1C(=O)Nc2ccccc2C1=O |
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| InChI Key | ZGNDOVQOEBRBLZ-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 | 1,3-dicarbonyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativeshydroquinolineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundtetrahydroquinolinevinylogous amidetetrahydroquinoloneazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaryl ketone |
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