| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:03:25 UTC |
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| Update Date | 2025-03-24 21:27:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01785300 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H12O3 |
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| Molecular Mass | 132.0786 |
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| SMILES | CCCC(C)C(=O)OO |
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| InChI Key | JTSRVXQXWWOTER-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 | carboxylic acids and derivatives |
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| Subclass | peroxycarboxylic acids and derivatives |
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| Direct Parent | peroxycarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxols |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativeshydroperoxidehydrocarbon derivativeperoxolorganooxygen compound |
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