| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:41 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063767 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C16H14F2N2O3S |
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| Molecular Mass | 352.0693 |
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| SMILES | COc1ccccc1CS(=O)c1nc2ccc(OC(F)F)cc2[nH]1 |
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| InChI Key | CLJWZNBKEHVJIH-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 fluoridesanisolesazacyclic compoundsbenzyl sulfoxidesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfinyl compoundssulfoxides |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzeneorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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