| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181699 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8F3NO3 |
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| Molecular Mass | 223.0456 |
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| SMILES | O=C(O)C(O)Cn1cccc1C(F)(F)F |
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| InChI Key | PKOCPUBJELPRNS-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 | substituted pyrroles |
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| Direct Parent | substituted pyrroles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidealcoholazacyclealkyl fluorideorganofluorideheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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