| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO7 |
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| Molecular Mass | 309.0849 |
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| SMILES | CC(=O)Oc1ccc(CC(=O)NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | ZACKNOFSEFKUBC-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 acidscarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundsphenylacetamidessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterphenol esteraspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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