| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:51 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8F3N3O |
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| Molecular Mass | 231.0619 |
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| SMILES | NC(N)=NC(=O)c1cccc(C(F)(F)F)c1 |
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| InChI Key | FHYBHOAKKBMTAE-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 fluoridesbenzoic acids and derivativesbenzoyl derivativescarboximidamidescarboxylic acids and derivativesguanidineshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | guanidinealkyl fluorideorganofluoridebenzoylbenzoic acid or derivativesorganic 1,3-dipolar compoundcarboximidamidecarboxylic acid derivativeorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundtrifluoromethylbenzeneorganooxygen compound |
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