| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:26 UTC |
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| Update Date | 2025-03-21 18:39:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125679 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C10H9NO8S |
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| Molecular Mass | 303.0049 |
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| SMILES | O=C(O)CN1C(=O)C(OS(=O)(=O)O)Oc2ccccc21 |
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| InChI Key | BTHXFLLKCFNRNU-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 sulfatesalpha amino acidsazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundalkyl sulfatetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesazacyclecarboxamide groupoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesbenzoxazinoneorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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