| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:46 UTC |
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| Update Date | 2025-03-21 18:34:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099898 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C17H18N2O4 |
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| Molecular Mass | 314.1267 |
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| SMILES | NC(=O)Cc1ccc(Oc2ccc(CC(N)C(=O)O)cc2)cc1 |
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| InChI Key | QJWZSWKZUBQWQW-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 acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesphenylpropanoic acidsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidediaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideamphetamine or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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