Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:14:58 UTC |
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Update Date | 2025-03-21 18:33:52 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00098014 |
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Frequency | 28.1 |
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Structure | |
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Chemical Formula | C7H12O5 |
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Molecular Mass | 176.0685 |
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SMILES | COC(=O)C(OC(C)=O)C(C)O |
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InChI Key | FGKXBBUQKLPUCK-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 | carbonyl compoundsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidessecondary alcohols |
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Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterbeta-hydroxy acidorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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