| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:48 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230536 |
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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 | CN1Cc2cc(Cl)ccc2C1=O |
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| InChI Key | BBGYZFSTPOOOFP-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 | isoindoles and derivatives |
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| Subclass | isoindolines |
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| Direct Parent | isoindolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesisoindoleslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | aryl chloridelactamazacycleisoindoleorganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compoundaryl halideisoindoloneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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