| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:52 UTC |
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| Update Date | 2025-03-25 00:52:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO4 |
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| Molecular Mass | 169.0375 |
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| SMILES | CC1=CC(=O)C(=NCC(=O)O)O1 |
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| InChI Key | AXWGWROQKGSRCD-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 | carboxylic acidscyclic ketonesfuranoneshydrocarbon derivativesimidoestersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidorganic 1,3-dipolar compoundcyclic ketoneimido esterpropargyl-type 1,3-dipolar organic compoundketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound3-furanoneorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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