| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | O=C(O)C1CNc2ccccc2S1(=O)=O |
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| InChI Key | KFYSQNCHIDEOIH-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-thiazinesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfones |
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| Substituents | carbonyl grouppara-thiazinecarboxylic acidazacycleamino acid or derivativesamino acidbenzothiazinesecondary aminecarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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