Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:59 UTC |
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Update Date | 2025-03-21 18:36:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00110320 |
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Frequency | 24.2 |
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Structure | |
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Chemical Formula | C13H22O12 |
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Molecular Mass | 370.1111 |
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SMILES | COC1C(C(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C1O |
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InChI Key | PUMKUWWKCKOZHS-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 glycosidesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidsdialkyl ethersfatty alcoholsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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Substituents | fatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidesaccharideorganic oxidealpha-hydroxyaldehydeacetalfatty alcoholaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydeoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compoundalkyl glycoside |
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