| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:27 UTC |
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| Update Date | 2025-03-25 00:45:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149844 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28N2O7 |
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| Molecular Mass | 408.1897 |
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| SMILES | CC(C)CC(NC(=O)CCC(O)C(=O)O)C(O)=NC(Cc1ccccc1)C(=O)O |
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| InChI Key | CKPOPUCSSFTSDV-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 acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidfatty amidemonosaccharidepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholorganic 1,3-dipolar compoundhydroxy acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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