| 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 | DMID02161999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10INO3 |
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| Molecular Mass | 318.9705 |
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| SMILES | O=C(O)C1CCc2cc(I)c(O)cc2N1 |
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| InChI Key | VYCZOMBCEJTHDZ-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-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsaryl iodidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinolinesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganoiodideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolineazacycle2-iodophenolsecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundamineorganooxygen compound |
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