| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CC(=O)OC(=O)CC=CCC(C)O |
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| InChI Key | XLPOCNSWDXOPOU-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 alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundfatty alcoholcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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