| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:20 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H16FNO4 |
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| Molecular Mass | 353.1063 |
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| SMILES | Cc1c(C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC(=O)O |
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| InChI Key | TZBOSNFDFWBGLN-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 | 1-carboxy-2-haloaromatic compoundsaryl fluoridesazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssubstituted 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 compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compound |
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