| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:40 UTC |
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| Update Date | 2025-03-21 18:40:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128652 |
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| Frequency | 19.8 |
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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 | CC(C)OC(=O)C(O)CO |
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| InChI Key | ASDGDOJBNHSEBN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | sugar acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupmonosaccharidehydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesglyceric_acidcarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcohol1,2-diol |
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