| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | O=C(O)C(=O)C=NC(Cc1ccccc1)C(=O)O |
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| InChI Key | IOGIIIWHQWWART-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 | aldiminesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidiminealpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketonealdimineorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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