| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:28 UTC |
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| Update Date | 2025-03-25 01:00:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245892 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O10 |
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| Molecular Mass | 428.1682 |
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| SMILES | CC1C(C)C(C(=O)O)C(OC(=O)CCC(O)Cc2ccc(O)c(O)c2)OC1C(O)O |
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| InChI Key | YXQONGTXOVREKJ-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 benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetaloxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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