| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:34 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O4 |
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| Molecular Mass | 230.1518 |
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| SMILES | COC(=O)C(COC(=O)C(C)C)CC(C)C |
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| InChI Key | PBHOGCMOFHECRA-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativefatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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