| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:49 UTC |
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| Update Date | 2025-03-21 18:33:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095143 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C18H16F2N2O4S |
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| Molecular Mass | 394.0799 |
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| SMILES | CC(C(=O)O)c1ccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)cc1 |
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| InChI Key | LIVCMAUTXJMNGN-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 fluoridesaromatic monoterpenoidsazacyclic compoundsbenzyl sulfoxidesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenylpropanoic acidssulfinyl compoundssulfoxides |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidp-cymenesulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxide2-phenylpropanoic-acidsulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundbenzyl sulfoxidesulfoxidehydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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