| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:11 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115645 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C18H18F2N2O3S |
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| Molecular Mass | 380.1006 |
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| SMILES | COc1c(C)ccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C |
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| InChI Key | QUJNYJAAROEFAT-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 compoundssulfoxidesm-xylenes |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundxyleneorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundm-xylenemethoxybenzeneorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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