| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:58 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6BrNO2 |
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| Molecular Mass | 226.9582 |
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| SMILES | O=C1Cc2cc(O)c(Br)cc2N1 |
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| InChI Key | MHXPMSITHWXLGT-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamso-bromophenolsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindole2-bromophenolazacyclecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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