| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:30 UTC |
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| Update Date | 2025-03-21 18:04:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051645 |
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| Frequency | 63.2 |
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| Structure | |
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| Chemical Formula | C23H32O12 |
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| Molecular Mass | 500.1894 |
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| SMILES | CC1OC(OCC2OC(Oc3ccc(CC4CCC(=O)O4)cc3)C(O)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | MCPJUYNNKJDRGH-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 acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl glycosidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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