| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:18 UTC |
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| Update Date | 2025-03-21 18:36:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111074 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C12H11F3N2O3 |
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| Molecular Mass | 288.0722 |
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| SMILES | NC(Cc1c[nH]c2ccc(OC(F)(F)F)cc12)C(=O)O |
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| InChI Key | LEHBJVALGHXTCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol etherspyrrolestrihalomethanes |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindoleorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganoheterocyclic compoundhalomethanetrihalomethaneazacyclealkyl fluorideorganofluorideheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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