| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:03 UTC |
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| Update Date | 2025-03-21 18:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029119 |
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| Frequency | 128.7 |
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| Structure | |
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| Chemical Formula | C17H16F2N2O4S |
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| Molecular Mass | 382.0799 |
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| SMILES | COc1cccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC |
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| InChI Key | YLLWJLLAUYQAKF-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 sulfoxidesdimethoxybenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfinyl compoundssulfoxides |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compounddimethoxybenzeneorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzeneorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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