| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:27 UTC |
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| Update Date | 2025-03-21 17:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018571 |
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| Frequency | 222.6 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | O=C1Nc2c(O)cccc2OC1O |
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| InChI Key | YCMOULYBXINKBT-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 benzenoidsazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactam1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalazacycle1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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