| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:27 UTC |
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| Update Date | 2025-03-21 18:05:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056103 |
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| Frequency | 56.9 |
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| Structure | |
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| Chemical Formula | C16H20N2O4 |
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| Molecular Mass | 304.1423 |
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| SMILES | COc1cc(CC2NC(=O)C3CCCCN3C2=O)ccc1O |
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| InChI Key | BCAXHCKLZPLDFZ-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 | piperazinopiperidines |
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| Subclass | piperazinopiperidines |
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| Direct Parent | piperazinopiperidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2,5-dioxopiperazinesalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspiperidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactam1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ether2,5-dioxopiperazinecarboxylic acid derivativeorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinepiperazino-1,2-a-piperidineazacyclen-alkylpiperazinecarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundanisole1,4-diazinanephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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