| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:43 UTC |
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| Update Date | 2025-03-21 18:28:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073484 |
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| Frequency | 50.7 |
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| Structure | |
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| Chemical Formula | C15H13NO2S |
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| Molecular Mass | 271.0667 |
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| SMILES | COc1ccc(C2NC(=O)c3ccccc3S2)cc1 |
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| InChI Key | UJSYUSKLZGUARC-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-thiazinesalkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous thioesters |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactambenzothiazinealkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmeta-thiazinevinylogous thioesterazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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