| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:44 UTC |
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| Update Date | 2025-03-21 18:28:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071098 |
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| Frequency | 42.2 |
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| Structure | |
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| Chemical Formula | C18H18FNO3 |
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| Molecular Mass | 315.1271 |
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| SMILES | NCCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 |
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| InChI Key | RZGOSSRIVSMLLG-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 fluoridescarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluorideethercarboxylic acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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