| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:12 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199436 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O |
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| Molecular Mass | 215.1059 |
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| SMILES | NC(=O)C(N)Cc1cnc2ccccc2c1 |
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| InChI Key | JRYBWYXJBCPZPW-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridines and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouppolyhalopyridinefatty amidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundcarboxamide grouppyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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