| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:50 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO6 |
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| Molecular Mass | 281.0899 |
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| SMILES | Cc1ccc(OCC(O)=NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | ALUAGJVTFUSIKY-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundstoluenes |
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| Substituents | phenol ethercarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundtolueneorganooxygen compound |
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