| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:39 UTC |
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| Update Date | 2025-03-21 18:38:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121510 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C9H9NO3S |
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| Molecular Mass | 211.0303 |
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| SMILES | O=C(O)C1CSc2cc(O)ccc2N1 |
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| InChI Key | SNUXFJUFIQJIJK-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-thiazines1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidbenzothiazinealpha-amino acid or derivativesalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpara-thiazineazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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