| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:16 UTC |
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| Update Date | 2025-03-21 18:02:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041528 |
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| Frequency | 82.7 |
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| Structure | |
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| Chemical Formula | C8H6F3NO |
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| Molecular Mass | 189.0401 |
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| SMILES | NC(=O)c1cccc(C(F)(F)F)c1 |
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| InChI Key | XBGXGCOLWCMVOI-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 | alkyl fluoridesbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidealkyl fluorideorganofluoridebenzoylbenzoic acid or derivativescarboxamide groupcarboxylic acid derivativeorganohalogen compoundbenzamidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundtrifluoromethylbenzeneorganooxygen compound |
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