| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H3F3N2O |
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| Molecular Mass | 212.0197 |
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| SMILES | N#Cc1cc(C#N)c(C(F)(F)F)cc1O |
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| InChI Key | HZEXFHQYFZPTJC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | trifluoromethylbenzenes |
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| Direct Parent | trifluoromethylbenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesbenzonitrileshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilealkyl fluorideorganofluoride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolalkyl halidehydrocarbon derivativeorganic nitrogen compoundcarbonitriletrifluoromethylbenzeneorganooxygen compound |
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