| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:11 UTC |
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| Update Date | 2025-03-21 18:02:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038996 |
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| Frequency | 89.5 |
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| Structure | |
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| Chemical Formula | C8H4ClNO2 |
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| Molecular Mass | 180.9931 |
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| SMILES | O=C1Nc2ccc(Cl)cc2C1=O |
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| InChI Key | XHDJYQWGFIBCEP-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 | aryl chloridesaryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamindoleorganochloridecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolearyl chloridevinylogous amideazacyclecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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