| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:01 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205869 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16N2O4 |
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| Molecular Mass | 300.111 |
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| SMILES | NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O |
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| InChI Key | CHQJBNQHHAGUOC-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethersfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | diaryl etherfatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amiden-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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