| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:32 UTC |
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| Update Date | 2025-03-21 17:58:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012061 |
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| Frequency | 379.1 |
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| Structure | |
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| Chemical Formula | C17H17NO5 |
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| Molecular Mass | 315.1107 |
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| SMILES | CC(=O)NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O |
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| InChI Key | BYPCJUGTJVBNBA-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 benzenoidsacetamidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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