| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:09 UTC |
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| Update Date | 2025-03-21 17:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013508 |
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| Frequency | 330.9 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | NC(CCC1=CC(=O)C(=O)C=C1)C(=O)O |
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| InChI Key | CLESZNPWFONCEJ-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 homomonocyclic compounds |
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| Alternative Parents | carbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinones |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acido-benzoquinonecyclic ketoneketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundquinone |
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