| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178854 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12ClNO2 |
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| Molecular Mass | 285.0557 |
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| SMILES | COc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)cc1 |
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| InChI Key | QDKZNLNLCWQQDT-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsmethoxybenzenesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamindoleorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolearyl chlorideazacyclecarboxamide groupmethoxybenzenearyl halidesecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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