| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:55:00 UTC |
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| Update Date | 2025-03-21 18:04:25 UTC |
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| HMDB ID | HMDB0005028 |
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| Metabolite Identification |
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| DeepMet ID | DMID00050526 |
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| Name | Escitalopram |
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| Frequency | 65.0 |
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| Structure | |
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| Chemical Formula | C20H21FN2O |
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| Molecular Mass | 324.1638 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 |
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| InChI Key | WSEQXVZVJXJVFP-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 | aryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideethernitrileorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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