| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:09 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224784 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O6 |
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| Molecular Mass | 338.1478 |
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| SMILES | NCCCCC(NC(=O)C(Cc1ccc(O)cc1)C(=O)O)C(=O)O |
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| InChI Key | KHIKOCPJJDYCHG-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino fatty acidsbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amide1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidn-acyl-alpha-amino acidcarboxamide groupamino fatty acidbranched fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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