| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:34 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054054 |
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| Frequency | 59.7 |
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| Structure | |
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| Chemical Formula | C9H7F2NO4 |
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| Molecular Mass | 231.0343 |
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| SMILES | O=C1Nc2ccc(OC(F)F)cc2OC1O |
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| InChI Key | ZLUSJRCHIXRHRK-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 fluoridesazacyclic compoundsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol etherssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl grouplactamcarboxylic acid derivativeorganohalogen compoundbenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalalkyl halideazacyclealkyl fluorideorganofluoridecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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