| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:34 UTC |
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| Update Date | 2025-03-21 18:03:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047128 |
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| Frequency | 70.8 |
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| Structure | |
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| Chemical Formula | C17H23NO5 |
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| Molecular Mass | 321.1576 |
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| SMILES | O=C(O)CCCCCCC(=O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | ILMNREWAUUYQJV-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsamphetamines and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupamino fatty acidn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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