| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:54 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H23FN2O3 |
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| Molecular Mass | 394.1693 |
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| SMILES | CNC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CC(=O)O)c1C(C)C |
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| InChI Key | VLTKAULYYYTICO-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesalpha-amino acid or derivativessubstituted pyrroleorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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