| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:01 UTC |
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| Update Date | 2025-03-21 18:32:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093251 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C8H7NO6S2 |
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| Molecular Mass | 276.9715 |
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| SMILES | O=C1C(OS(=O)(=O)O)Sc2ccccc2N1O |
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| InChI Key | PICLTGCKMSAOHO-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 | 1,4-thiazinesalkyl sulfatesaryl thioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouppara-thiazineorganic sulfuric acid or derivativesazacyclebenzothiazinecarboxylic acid derivativearyl thioetherorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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