| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:39 UTC |
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| Update Date | 2025-03-21 18:30:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082926 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C14H18O7 |
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| Molecular Mass | 298.1053 |
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| SMILES | O=C(CO)COC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | WEJNJFJWMCZMAP-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-acyloxy ketonesalpha-hydroxy ketonesbenzene and substituted derivativescarboxylic acid estersglycerone and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha-acyloxy ketone1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideglycerone or derivativesalcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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