| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:41 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5S |
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| Molecular Mass | 271.0514 |
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| SMILES | O=C(O)CCC1Cc2cc(O)ccc2S(=O)(=O)N1 |
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| InChI Key | YJKCTEZULIEAOA-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-thiazines1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycle1-hydroxy-2-unsubstituted benzenoidbenzothiazinecarboxylic 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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