| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:42 UTC |
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| Update Date | 2025-03-21 17:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005471 |
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| Frequency | 1038.5 |
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| Structure | |
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| Chemical Formula | C21H33NO3 |
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| Molecular Mass | 347.246 |
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| SMILES | CCCCCC=CCC=CCC=CCC=CCCC(=O)NCC(=O)O |
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| InChI Key | QSHWFWRRCJIOCH-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidecarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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