| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:09 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H39FN2O3 |
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| Molecular Mass | 470.2945 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(CCCN)(c3ccc(F)cc3)CC2)cc1 |
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| InChI Key | NHYALWKRUCDWFM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsphenylbutylaminesphenylpropanessecondary alcoholstrialkylamines |
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| Substituents | aryl fluoridearomatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compoundphenylpropanefluorobenzeneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholazacycleorganofluoridetertiary aliphatic aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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