| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11FN2O |
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| Molecular Mass | 242.0855 |
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| SMILES | O=C1Nc2ccccc2NC1c1ccc(F)cc1 |
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| InChI Key | CAVRQCUKNFIJRN-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 | aryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfluorobenzeneshydrocarbon derivativeslactamsorganic oxidesorganofluoridesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl grouplactamorganohalogen compoundfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganofluoridesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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