| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:59 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8ClNO |
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| Molecular Mass | 181.0294 |
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| SMILES | O=C1CCNc2cc(Cl)ccc21 |
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| InChI Key | HOLTZTRNTRXTNX-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 | aryl alkyl ketonesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativeshydroquinolinesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | aryl alkyl ketoneorganochlorideorganohalogen compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtetrahydroquinolinearyl chloridevinylogous amidetetrahydroquinoloneazacyclesecondary aminesecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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