| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:51 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H44O18 |
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| Molecular Mass | 728.2528 |
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| SMILES | COc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2(C(=O)O)CC(O)C(O)C(C(=O)O)O2)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | TUAXCKBQRUAVLD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | lignan glycosides |
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| Subclass | lignan glycosides |
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| Direct Parent | lignan glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl glycosidesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdibenzylbutane lignansdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesketalsmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundlignan glycoside1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddibenzylbutane lignan skeletonbeta-hydroxy acidsaccharideorganic oxideacetalketaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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