| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:30 UTC |
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| Update Date | 2025-03-21 17:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020898 |
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| Frequency | 201.2 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | O=C1CC(=O)c2ccccc2N1 |
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| InChI Key | YZMVLKJJJCMVGX-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 ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidetetrahydroquinolonecarbonyl grouplactamaryl alkyl ketoneazacyclecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtetrahydroquinolineorganooxygen compoundaryl ketone |
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