| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:11 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO5S |
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| Molecular Mass | 269.0358 |
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| SMILES | CC(=O)OC1C(=O)N(C)S(=O)(=O)c2ccccc21 |
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| InChI Key | XMYGYANETLULQN-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 acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupazacyclebenzothiazinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativescarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundortho-thiazine |
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