| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185244 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O3 |
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| Molecular Mass | 272.1161 |
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| SMILES | NC(=O)C(N)Cc1ccc(Oc2ccccc2O)cc1 |
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| InChI Key | BGEGTSISPOQDAR-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 derivativescarbonyl compoundscarboxylic acids and derivativesdiarylethersdiphenylethersfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidediaryl etherfatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amide1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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