| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:54 UTC |
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| Update Date | 2025-03-21 18:35:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107658 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C15H14F2N4O3S |
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| Molecular Mass | 368.0755 |
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| SMILES | COc1nc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)ncc1C |
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| InChI Key | HYPPAYUQNZRROK-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 | alkyl aryl ethersalkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol etherspyrimidines and pyrimidine derivativessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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