| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:59 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196563 |
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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 | CCC(CCC(C)O)COC(=O)CC(C)=O |
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| InChI Key | ZPFGAWOIMJISMZ-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 | beta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholketo acidcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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