| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:21 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123154 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H16O4 |
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| Molecular Mass | 188.1049 |
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| SMILES | CC(C)C(=O)OC(=O)C(C)(C)CO |
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| InChI Key | ANIRGSVYJZXMRT-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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