| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:31 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239002 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28O21S |
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| Molecular Mass | 612.0844 |
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| SMILES | O=CC(O)C(O)C(OC1OC(O)C(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C1O)C(O)CO |
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| InChI Key | DZFMPGMIRHCBCE-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 acids and derivativesbeta-hydroxy aldehydescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon 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 groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalalkyl sulfatealiphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesaldehydehydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compoundalkyl glycoside |
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