| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:37:33 UTC |
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| Update Date | 2025-03-24 20:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01580747 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C38H54O23 |
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| Molecular Mass | 878.3056 |
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| SMILES | COc1cc(CC(COC2OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C(C(O)CO)O2)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | XPNBJZYEFJQMBC-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 | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdibenzylbutane lignansfatty acyl glycosides of mono- and disaccharidesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho estersoxacyclic 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 compoundortho esterlignan glycoside1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidecarboxylic acid orthoesteralkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddibenzylbutane lignan skeletonsaccharideorganic oxideacetalhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundmeta-dioxaneorganooxygen compoundalkyl glycoside |
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