| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:03 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210653 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CC(=NCC(=O)O)c1cc(C)ccc1O |
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| InChI Key | BKJLFKWATZZWGL-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 benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspara cresolspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestoluenes |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidep-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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