| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:16 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043983 |
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| Frequency | 140.8 |
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| Structure | |
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| Chemical Formula | C16H17N3O3S |
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| Molecular Mass | 331.0991 |
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| SMILES | COc1c(C)cnc(CS(=O)c2nc3c(O)cccc3[nH]2)c1C |
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| InChI Key | POJTZPPTCOWARM-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 | benzimidazoles |
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| Subclass | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
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| Substituents | etherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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