| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:10 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208499 |
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| Frequency | 0.5 |
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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)C(O)C(=O)OCC(=O)O |
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| InChI Key | SGKQIIFIQLGZSY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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