Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:45:42 UTC |
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Update Date | 2025-03-25 00:48:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02168633 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C11H20O5 |
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Molecular Mass | 232.1311 |
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SMILES | CC(C)C(=O)OCC(=O)C(O)C(C)(C)CO |
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InChI Key | CRLBPTOGZKWNCK-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 | carbonyl compounds |
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Direct Parent | alpha-acyloxy ketones |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | acyloinsalpha-hydroxy ketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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Substituents | alcoholaliphatic acyclic compoundalpha-acyloxy ketonemonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidemonocarboxylic acid or derivativesacyloincarboxylic acid estersecondary alcoholhydrocarbon derivative |
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