| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:02 UTC |
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| Update Date | 2025-03-25 00:47:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CC(O)C1=CC(=NCC(=O)O)OC1 |
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| InChI Key | UZNGCVJGLKKGMH-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrofuranshydrocarbon derivativesimidoestersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundimido esterpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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