| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:12:31 UTC |
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| Update Date | 2025-03-21 22:12:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00514680 |
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| Frequency | 3.3 |
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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(CC(=O)C=O)C(=O)O |
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| InChI Key | XBQKKBUKHARPRB-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 ketoaldehydescarboxylic acidsfatty acylshydrocarbon derivativesketonesmethyl-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 acidaldehydecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativealpha-ketoaldehydeorganooxygen compound |
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