| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:21 UTC |
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| Update Date | 2025-03-21 18:02:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039368 |
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| Frequency | 88.4 |
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| Structure | |
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| Chemical Formula | C8H14O3 |
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| Molecular Mass | 158.0943 |
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| SMILES | CCCCCC(=O)C(=O)OC |
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| InChI Key | KKHXXRRGPXSDIJ-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 | alpha-keto acids and derivativeshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivativeorganooxygen compound |
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