| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO8S2 |
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| Molecular Mass | 322.977 |
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| SMILES | O=C(O)C1Cc2cccc(OS(=O)(=O)O)c2S(=O)(=O)N1 |
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| InChI Key | ZNCOFZNZFKUBKI-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-thiazinesalpha amino acidsarylsulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoestercarbonyl groupcarboxylic acidbenzothiazinealpha-amino acid or derivativescarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateortho-thiazineorganic sulfuric acid or derivativesazacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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