| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:32 UTC |
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| Update Date | 2025-03-21 18:33:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096894 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 |
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| InChI Key | VKCFABOTSHKXHB-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 | n-acylpiperidines |
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| Direct Parent | n-benzoylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-benzoylpiperidinesamino acidsazacyclic compoundsbenzamidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidsprimary aminestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-benzoylpiperidinearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativebenzamideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidn-benzoylpiperidineazacyclebenzoic acid or derivativescarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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