| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:46 UTC |
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| Update Date | 2025-03-21 18:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033162 |
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| Frequency | 109.6 |
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| Structure | |
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| Chemical Formula | C11H13NO5 |
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| Molecular Mass | 239.0794 |
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| SMILES | NC(Cc1ccc(C(O)C(=O)O)cc1)C(=O)O |
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| InChI Key | UXHNJHUSRPAFAI-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 hydroxy acids and derivativesamphetamines and derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholhydroxy acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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