| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:40 UTC |
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| Update Date | 2025-03-25 00:49:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H32N2O3 |
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| Molecular Mass | 336.2413 |
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| SMILES | CCC(C)C(N)C(=O)NC(CC(C)C)C(O)Cc1ccc(O)cc1 |
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| InChI Key | ZEBIQRVKDHHQOE-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesalcoholalpha-amino acid amidecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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