| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:10 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050876 |
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| Frequency | 119.8 |
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| Structure | |
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| Chemical Formula | C16H17N3O4S |
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| Molecular Mass | 347.094 |
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| SMILES | COc1ccnc(CS(=O)c2nc3c(OC)cccc3[nH]2)c1OC |
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| InChI Key | AHGVKGFTGHYYJM-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 compoundspolyhalopyridinessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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