| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:36 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O3 |
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| Molecular Mass | 278.163 |
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| SMILES | COc1ccc(CNC(=O)C2CCCN2C)cc1OC |
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| InChI Key | XDICPEWCQDSCJS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolidinecarboxamidessecondary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl etherdimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalpha-amino acid amideazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide groupmethoxybenzenesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamidephenoxy compoundamineorganooxygen compound |
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