Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:14 UTC |
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Update Date | 2025-03-21 18:35:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105990 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C15H15N3O4S |
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Molecular Mass | 333.0783 |
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SMILES | COc1ccnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1OC |
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InChI Key | IZDVVRQVAMGXSN-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 | 2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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Substituents | etherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundmethylpyridinesulfonylpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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