| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:22 UTC |
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| Update Date | 2025-03-21 18:02:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039391 |
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| Frequency | 95.6 |
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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=C1NCc2ccccc2C1=O |
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| InChI Key | OXGCFRHTLHGNBN-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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