| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:07 UTC |
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| Update Date | 2025-03-21 18:31:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084041 |
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| Frequency | 34.2 |
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| Structure | |
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| Chemical Formula | C20H18FNO3 |
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| Molecular Mass | 339.1271 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCCC(=O)O)c1ccc(F)cc1 |
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| InChI Key | LGMKLHUQXJOMNM-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshalogenated fatty acidsheterocyclic fatty acidshydrocarbon derivativesisocoumaransmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy aciddialkyl etherfluorobenzeneorganic oxideisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarbonitrileorganoheterocyclic compoundhalogenated fatty acidorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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