| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:11 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O3 |
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| Molecular Mass | 302.163 |
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| SMILES | Cc1c(CCC(=O)O)cccc1CC1NC(=O)C2CCCN12 |
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| InChI Key | AJNGGFMVBXAGSJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesimidazolidinoneslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestoluenes |
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| Substituents | imidazolidinemonocyclic benzene moietycarbonyl grouplactamcarboxylic acid3-phenylpropanoic-acidalpha-amino acid or derivativescarboxylic acid derivativeimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclen-alkylpyrrolidinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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