| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187296 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22FNO3 |
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| Molecular Mass | 379.1584 |
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| SMILES | CC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CC(=O)O)c1C(C)C |
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| InChI Key | NSBWBVHDYMWGFG-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 alkyl ketonesaryl fluoridesazacyclic compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundalpha-amino acid or derivativessubstituted pyrroleorganohalogen compoundketonefluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundaryl ketone |
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