| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:34 UTC |
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| Update Date | 2025-03-21 17:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016599 |
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| Frequency | 257.1 |
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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 | COC(=O)C(C)(C)CO |
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| InChI Key | KJRFTNVYOAGTHK-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 compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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