| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:31 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121209 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | NC(Cc1ccc(C(=O)C(=O)O)cc1)C(=O)O |
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| InChI Key | IZFYXHFYJKFYKB-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-keto acids and derivativesamphetamines and derivativesaryl ketonesbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundamphetamine or derivativesaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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