| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:29 UTC |
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| Update Date | 2025-03-25 01:01:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10ClNO |
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| Molecular Mass | 243.0451 |
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| SMILES | O=C1NC(c2cccc(Cl)c2)c2ccccc21 |
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| InChI Key | AWTRERVAWNCWMQ-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 compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesisoindoleslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietylactamorganochloridecarboxylic acid derivativeorganohalogen compoundisoindoloneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzeneazacycleisoindolecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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