Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:14 UTC |
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Update Date | 2025-03-21 18:02:36 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00039103 |
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Frequency | 89.2 |
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Structure | |
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Chemical Formula | C8H14O5 |
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Molecular Mass | 190.0841 |
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SMILES | CC(C)C(=O)OCC(C)(O)C(=O)O |
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InChI Key | AESHNEJDOTYEPF-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 | carboxylic acids and derivatives |
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Subclass | dicarboxylic acids and derivatives |
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Direct Parent | dicarboxylic acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcohols |
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Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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