| 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 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO7S |
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| Molecular Mass | 337.0256 |
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| SMILES | O=C1Nc2ccccc2OC1c1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | NFLWDJCBRIOFPW-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 benzenoidsalkyl aryl ethersazacyclic compoundsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupetherlactam1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebenzomorpholinephenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesazacyclecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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