| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:28:29 UTC |
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| Update Date | 2025-03-24 20:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01558858 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C5H8O4 |
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| Molecular Mass | 132.0423 |
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| SMILES | CC(=O)C(C)C(=O)OO |
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| InChI Key | FAYQBJFLFGEPOW-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl grouphydroperoxidecarboxylic acid derivativebeta-keto acidperoxolketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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