| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:22 UTC |
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| Update Date | 2025-03-21 18:04:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051342 |
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| Frequency | 82.2 |
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| Structure | |
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| Chemical Formula | C9H6F2N2O3 |
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| Molecular Mass | 228.0346 |
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| SMILES | O=C(O)c1nc2ccc(OC(F)F)cc2[nH]1 |
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| InChI Key | XTWAXJNVFZMROE-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 | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol ethers |
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| Substituents | phenol ethercarboxylic acidazacyclealkyl fluorideorganofluorideheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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