| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:54 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040654 |
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| Frequency | 84.9 |
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| Structure | |
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| Chemical Formula | C17H16N2O6 |
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| Molecular Mass | 344.1008 |
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| SMILES | O=C(Cc1ccc(O)cc1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | CDKRWWBWRVWUBR-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyliminesorganic oxidesorganopnictogen compoundsphenylacetamidespropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | n-acyliminemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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