| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:50 UTC |
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| Update Date | 2025-03-21 18:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033331 |
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| Frequency | 117.3 |
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| Structure | |
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| Chemical Formula | C21H31NO5 |
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| Molecular Mass | 377.2202 |
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| SMILES | O=C(O)CCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O |
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| InChI Key | JFYJECKGGZOKHP-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 acidsamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslong-chain fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupamino fatty acidn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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