| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO4 |
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| Molecular Mass | 214.9985 |
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| SMILES | O=C1Nc2cc(Cl)cc(O)c2OC1O |
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| InChI Key | PGEALGBTROTIBB-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamorganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalaryl chlorideazacycle1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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