Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:48:57 UTC |
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Update Date | 2025-03-21 18:02:02 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00035997 |
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Frequency | 98.6 |
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Structure | |
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Chemical Formula | C19H26O10 |
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Molecular Mass | 414.1526 |
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SMILES | COc1cc(CC2CCC(=O)O2)cc(OC)c1OC1OC(CO)C(O)C(O)C1O |
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InChI Key | ZCOJGZOEVAYAKB-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 aryl ethersalkyl glycosidesanisolescarbonyl compoundscarboxylic acid estersdimethoxybenzenesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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