| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:11 UTC |
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| Update Date | 2025-03-25 01:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO2S |
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| Molecular Mass | 207.0354 |
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| SMILES | CC1=C(C(=O)O)Nc2ccccc2S1 |
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| InChI Key | LNGOOSYNBSVLAS-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-thiazinesalpha amino acidsamino acidsaryl thioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminesthioenol ethersvinylogous thioesters |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzothiazinealpha-amino acid or derivativescarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous thioesterpara-thiazineazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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