| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:49 UTC |
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| Update Date | 2025-03-21 18:40:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131412 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C15H18O7 |
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| Molecular Mass | 310.1053 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1CCC(=O)O1 |
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| InChI Key | LDGSAWNXABVPKD-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneacylalorganic oxideacetalorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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