| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:18 UTC |
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| Update Date | 2025-03-21 18:05:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055742 |
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| Frequency | 70.2 |
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| Structure | |
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| Chemical Formula | C16H17N3O5S |
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| Molecular Mass | 363.0889 |
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| SMILES | COc1ccc2nc(S(=O)(=O)Cc3nccc(OC)c3OC)[nH]c2c1 |
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| InChI Key | ADGDRLMBRUYYCC-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 ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundmethylpyridinesulfonylpyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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