| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:41 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054303 |
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| Frequency | 59.3 |
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| Structure | |
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| Chemical Formula | C20H22FNO3 |
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| Molecular Mass | 343.1584 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2ccc(C(=O)O)cc21 |
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| InChI Key | BIQQFUVBWCLDNA-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 | amino acidsaryl fluoridescarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideethercarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundorganofluoridetertiary aliphatic aminearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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