| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:17 UTC |
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| Update Date | 2025-03-21 18:37:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115889 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | Cc1ccc(CCC(O)=NCC(=O)O)c(C)c1O |
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| InChI Key | JCJGUUNBOHBLAD-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-4-unsubstituted benzenoidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolspropargyl-type 1,3-dipolar organic compoundsm-xylenes |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundxyleneorganic oxideo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundm-xyleneorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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