| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:44 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202902 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27NO5 |
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| Molecular Mass | 361.1889 |
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| SMILES | O=C1CCC(Cc2ccc(OCCCN3CCC(C(=O)O)CC3)cc2)O1 |
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| InChI Key | WLPLHGUHNSTRRA-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 | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundspiperidinestetrahydrofuranstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidtertiary amineazacycletetrahydrofurantertiary aliphatic aminegamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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