| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224102 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO4 |
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| Molecular Mass | 261.1001 |
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| SMILES | O=C(Cc1ccccc1)C1=NC(C(=O)O)CC(O)C1 |
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| InChI Key | UNLQNUSNJSIEBP-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundiminepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycletetrahydropyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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