| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253858 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21FN2O3 |
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| Molecular Mass | 380.1536 |
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| SMILES | CC(C)c1c(C(N)=O)c(-c2ccc(F)cc2)c(-c2ccccc2)n1CC(=O)O |
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| InChI Key | ALKPQDSQMIVYSY-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 compoundsprimary carboxylic acid amidespyrrole carboxamidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluorideprimary carboxylic acid amidemonocyclic 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 halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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