| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:16 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO4S |
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| Molecular Mass | 289.0409 |
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| SMILES | O=C1NC(c2ccc(O)c(O)c2)Sc2cc(O)ccc21 |
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| InChI Key | LXXCMWZANWIROU-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 | 1,3-thiazines1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous thioesters |
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| Substituents | monocyclic benzene moietylactam1-hydroxy-2-unsubstituted benzenoidbenzothiazinealkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmeta-thiazinevinylogous thioesterazacycle1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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