| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4F3NO2 |
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| Molecular Mass | 179.0194 |
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| SMILES | O=C(O)c1cccn1C(F)(F)F |
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| InChI Key | MBINNSFBKOXFSR-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessubstituted pyrrolestrihalomethanes |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundalkyl halidehalomethanetrihalomethaneazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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