| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:00 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | CN1C(CC(=O)O)Cc2ccccc2S1(=O)=O |
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| InChI Key | KQDCUKYQUGIAEV-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 | 1,2-thiazinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacyclebenzothiazinecarboxylic acid derivativeorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundortho-thiazine |
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