| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:55 UTC |
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| Update Date | 2025-03-21 18:02:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040729 |
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| Frequency | 84.7 |
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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 | CC(=O)C(C)C(=O)C(=O)O |
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| InChI Key | BBIALQBXCMTYHH-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-diketonescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivative1,3-dicarbonyl compound1,3-diketoneorganooxygen compound |
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