| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | Cc1ccc(C(O)C2CC3CCN2CC3C(=O)O)cc1 |
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| InChI Key | LTXWQGUILWDACS-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinesquinuclidinessecondary alcoholstoluenestrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidquinuclidinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidtertiary aminealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneamineorganooxygen compound |
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