| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:04:59 UTC |
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| Update Date | 2025-03-21 19:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00215919 |
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| Frequency | 10.1 |
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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 | COC(=O)CC(=O)C(C)=O |
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| InChI Key | IFWQKAPQRMLZSG-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-diketonesbeta-keto acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativealpha-diketonebeta-keto acidgamma-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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