| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:38 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17FN2O3 |
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| Molecular Mass | 340.1223 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CNCCC(=O)O)c1ccc(F)cc1 |
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| InChI Key | UJPZDGHXPLYXIW-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersdialkylaminesfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidamino acidorganohalogen compounddialkyl etherfluorobenzeneorganic oxideisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundsecondary aliphatic amineorganofluoridesecondary aminebeta amino acid or derivativesaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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