| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:19 UTC |
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| Update Date | 2025-03-25 00:53:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3S |
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| Molecular Mass | 251.0616 |
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| SMILES | CCC(=O)OC1Sc2ccccc2N(C)C1=O |
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| InChI Key | ZSCOZFYPUTVNFQ-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-thiazinesaryl thioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl grouppara-thiazinelactamazacyclebenzothiazinecarboxamide groupcarboxylic acid derivativearyl thioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid estertertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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