| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099542 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C9H9NO7S |
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| Molecular Mass | 275.01 |
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| SMILES | O=C1C(COS(=O)(=O)O)Oc2ccccc2N1O |
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| InChI Key | PDMQZVNFXUTBDB-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 aryl ethersalkyl sulfatesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacycleoxazinaneoxacyclemorpholinebenzoxazinoneorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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