| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:24 UTC |
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| Update Date | 2025-03-21 18:28:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070300 |
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| Frequency | 42.8 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | C=C(C)CC(=O)C(=O)O |
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| InChI Key | SAMCJYXDHVQPTB-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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