| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:35 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184347 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO7 |
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| Molecular Mass | 283.0692 |
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| SMILES | NC(Cc1ccc(OC(=O)C(O)C(=O)O)cc1)C(=O)O |
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| InChI Key | LBAMOHXPKWSFMA-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 | 1,3-dicarbonyl compoundsalpha amino acidsalpha hydroxy acids and derivativesamphetamines and derivativescarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundsphenylpropanoic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholhydroxy acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundphenoxy compoundorganooxygen compound |
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