| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:36 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19FN2O3 |
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| Molecular Mass | 354.138 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCNCC(=O)O)c1ccc(F)cc1 |
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| InChI Key | UMOOSINNKYLLDU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersdialkylaminesfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridecarbonyl groupethernitrilecarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundsecondary aliphatic amineorganofluoridesecondary aminearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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