| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:04 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5S |
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| Molecular Mass | 255.0201 |
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| SMILES | O=C(O)CCC1=NS(=O)(=O)c2ccc(O)cc21 |
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| InChI Key | OKBSWDLEIBGOTB-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycle1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivative1,2-benzothiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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