| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:16 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23NO7 |
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| Molecular Mass | 389.1475 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)NC(Cc1cccc(O)c1)C(=O)O |
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| InChI Key | ARIFCXAEIHEJHC-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amide1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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