| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:54 UTC |
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| Update Date | 2025-03-21 18:28:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071492 |
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| Frequency | 42.0 |
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| Structure | |
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| Chemical Formula | C8H6BrNO3 |
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| Molecular Mass | 242.9531 |
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| SMILES | O=C1Nc2ccc(Br)cc2OC1O |
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| InChI Key | MANVZFRTBDVMPB-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 | aryl bromidesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalazacyclecarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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