| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:02:45 UTC |
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| Update Date | 2025-03-24 21:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01925952 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | C#CCCC(=O)C(=O)O |
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| InChI Key | KLPHNPPBRHTPTR-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetylidesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupacetylidecarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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