| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:07 UTC |
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| Update Date | 2025-03-21 17:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022291 |
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| Frequency | 178.1 |
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| Structure | |
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| Chemical Formula | C13H18N2O |
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| Molecular Mass | 218.1419 |
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| SMILES | NC(Cc1ccccc1)C(=O)N1CCCC1 |
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| InChI Key | XJPALNDNNCWDJU-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha-amino acid amidearomatic heteromonocyclic compoundazacyclen-acylpyrrolidinecarboxamide grouporganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compoundamphetamine or derivatives |
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