| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H23FN2O3 |
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| Molecular Mass | 394.1693 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN1CCCC1C(=O)O)c1ccc(F)cc1 |
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| InChI Key | DVTKZLSQEGLPIJ-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesn-alkylpyrrolidinesnitrilesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminespyrrolidine carboxylic acidstrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidamino acidorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundpyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinecarbonitriletertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidineorganofluoridetertiary aliphatic aminearyl halideoxacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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