| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:11 UTC |
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| Update Date | 2025-03-21 18:39:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127504 |
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| Frequency | 20.0 |
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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(Cc1ccc(OC(CC(=O)O)C(=O)O)cc1)C(=O)O |
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| InChI Key | LALAMVWIUXKUBH-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 | alkyl aryl ethersalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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