| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:37 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135448 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C16H14N2O3 |
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| Molecular Mass | 282.1004 |
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| SMILES | N#Cc1ccc(Oc2ccc(CC(N)C(=O)O)cc2)cc1 |
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| InChI Key | YDQMBTDOKWBQGH-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 derivativesbenzonitrilescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileamphetamine or derivativesbenzonitrilearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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