| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:49 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112317 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C16H15NO5 |
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| Molecular Mass | 301.095 |
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| SMILES | NC(Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1)C(=O)O |
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| InChI Key | QGJFAAHLTMCLHK-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 derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbenzoylorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidamphetamine or derivativesbenzoic acid or derivativesaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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