| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:38 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157195 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3S2 |
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| Molecular Mass | 228.9867 |
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| SMILES | O=C1CSc2cc(S(=O)O)ccc2N1 |
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| InChI Key | INKDIPSBJXZPAG-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-thiazinesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl grouplactamsulfinic acid derivativebenzothiazinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioethersulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpara-thiazineazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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