| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:20:58 UTC |
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| Update Date | 2025-03-24 20:42:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01540598 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | C=CC(=O)C(CO)C(=O)O |
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| InChI Key | YUOSYQRVVFVWPJ-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketoneshort-chain keto acidalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonebeta-hydroxy acidorganic oxidehydroxy fatty acidprimary alcoholenonealcoholhydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compound |
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