| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:43 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223836 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO7 |
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| Molecular Mass | 297.0849 |
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| SMILES | NC(CC(=O)Oc1ccc(CC(O)C(=O)O)cc1)C(=O)O |
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| InChI Key | KIUVFGQHNSRCNL-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 | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundsphenylpropanoic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholhydroxy acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esteraspartic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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