| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:32 UTC |
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| Update Date | 2025-03-21 18:40:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128324 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C15H13NO4 |
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| Molecular Mass | 271.0845 |
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| SMILES | O=C1Nc2ccc(O)cc2OCC1c1ccc(O)cc1 |
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| InChI Key | MRKSIAZCHGQSDE-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 | oxazepines |
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| Subclass | 1,4-oxazepines |
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| Direct Parent | 1,4-oxazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupetherlactamazacycle1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxamide groupcarboxylic acid derivativepara-oxazepineoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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