| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:37 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12F3N |
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| Molecular Mass | 251.0922 |
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| SMILES | Cc1ccc(-c2cc(C)nc(C(F)(F)F)c2)cc1 |
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| InChI Key | TVLDWQSTCBMCMQ-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganofluoridesorganonitrogen compoundsorganopnictogen compoundstoluenes |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacyclepolyhalopyridinealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridineorganohalogen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundtoluene |
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