Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:50:07 UTC |
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Update Date | 2025-03-25 00:50:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02178777 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C19H32O20S |
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Molecular Mass | 612.1208 |
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SMILES | COC1C(C(=O)O)OC(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(O)C2O)C(OS(=O)(=O)O)C1O |
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InChI Key | CNCLJZXRGNNOKJ-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 | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetalsalkyl glycosidesalkyl sulfatesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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Substituents | fatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydesulfuric acid monoestercarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidesaccharideorganic oxidealpha-hydroxyaldehydeacetalalkyl sulfatealiphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesaldehydeoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compoundalkyl glycoside |
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