| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18FNO3 |
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| Molecular Mass | 255.1271 |
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| SMILES | CN(C)CCCC(O)(C(=O)O)c1ccc(F)cc1 |
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| InChI Key | ZROGVXSMRPWNBM-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 homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaromatic alcoholsaryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aryl fluoridearomatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholorganofluoridetertiary aliphatic aminehydroxy acidaryl halidearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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