| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:41 UTC |
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| Update Date | 2025-03-25 00:55:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214509 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O6 |
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| Molecular Mass | 274.1416 |
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| SMILES | CC=CC(=O)OC1C(O)CC(O)(C(C)O)OC1(C)C |
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| InChI Key | RZHVRFCGBJYSKR-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | enoate esteralcoholcarbonyl groupcarboxylic acid derivativeoxacyclealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
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