| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:40 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O4 |
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| Molecular Mass | 321.1689 |
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| SMILES | COc1cc(CC2NC(=O)C(CCCCN)NC2=O)ccc1O |
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| InChI Key | LFADPEDCVQUVHM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2,5-dioxopiperazinesalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ether2,5-dioxopiperazinecarboxylic acid derivativeorganic oxidedioxopiperazinepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundanisole1,4-diazinanehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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