| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:50 UTC |
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| Update Date | 2025-03-21 18:37:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117250 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C16H12F2N2O4S |
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| Molecular Mass | 366.0486 |
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| SMILES | O=C(O)c1ccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)cc1 |
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| InChI Key | JOAVWYURPFARJC-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 fluoridesazacyclic compoundsbenzoic acidsbenzoyl derivativesbenzyl sulfoxidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherssulfinyl compoundssulfoxides |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidbenzoylsulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halidebenzoic acidazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundbenzyl sulfoxidesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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