| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:38 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5Br2NO2 |
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| Molecular Mass | 304.8687 |
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| SMILES | O=C1COc2c(Br)cc(Br)cc2N1 |
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| InChI Key | VINVOIWLCFTQKN-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 | benzoxazines |
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| Subclass | benzoxazinones |
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| Direct Parent | benzoxazinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl bromidesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupetherlactamalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacyclecarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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