| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:33 UTC |
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| Update Date | 2025-03-21 18:04:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049464 |
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| Frequency | 66.7 |
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| Structure | |
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| Chemical Formula | C8H6BrNO |
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| Molecular Mass | 210.9633 |
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| SMILES | O=C1Cc2cc(Br)ccc2N1 |
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| InChI Key | VIMNAEVMZXIKFL-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 bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacycleindolecarboxamide groupcarboxylic acid derivativeorganohalogen compoundaryl halidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddihydroindolearyl bromideorganooxygen compound |
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