| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:54 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028764 |
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| Frequency | 130.6 |
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| Structure | |
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| Chemical Formula | C6H7NO5 |
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| Molecular Mass | 173.0324 |
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| SMILES | NC(C(=O)O)C(=O)C=CC(=O)O |
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| InChI Key | MKCUDKPNVJYCBD-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 acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonebeta-keto acidketoneunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneamino fatty acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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