| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:49 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4 |
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| Molecular Mass | 207.0532 |
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| SMILES | O=CC(=NCC(=O)O)c1cccc(O)c1 |
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| InChI Key | YZLYIBSCTBSQNQ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylacetaldehydespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaldehydeorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundphenylacetaldehyde |
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