| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:28 UTC |
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| Update Date | 2025-03-21 18:03:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046874 |
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| Frequency | 71.2 |
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| Structure | |
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| Chemical Formula | C6H12O4 |
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| Molecular Mass | 148.0736 |
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| SMILES | COC(=O)C(C)C(O)CO |
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| InChI Key | OMTIDWFTRAUCNY-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 | 1,2-diolscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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