| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:36 UTC |
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| Update Date | 2025-03-25 00:52:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O8 |
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| Molecular Mass | 342.1315 |
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| SMILES | CC1COC(O)C(OC(=O)CCC(O)Cc2ccc(O)c(O)c2)O1 |
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| InChI Key | KUYBVNROMIGCSE-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 heteromonocyclic compounds |
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| Alternative Parents | 1,4-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacyclefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalpara-dioxanecarboxylic acid estersecondary alcoholphenolhemiacetalhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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