Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:08 UTC |
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Update Date | 2025-03-21 18:35:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105736 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C23H32O16 |
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Molecular Mass | 564.169 |
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SMILES | COc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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InChI Key | YMDFMGXAQHYVTP-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclefatty acid esterorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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