| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:49 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047732 |
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| Frequency | 69.7 |
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| Structure | |
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| Chemical Formula | C9H9NO8S |
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| Molecular Mass | 291.0049 |
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| SMILES | COc1ccc2c(c1)OC(OS(=O)(=O)O)C(=O)N2O |
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| InChI Key | BKFNTANIRVOYGT-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 sulfatesanisolesazacyclic compoundsbenzomorpholinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacycleoxazinaneoxacyclemorpholinebenzoxazinoneorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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