| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:14 UTC |
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| Update Date | 2025-03-21 18:02:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039076 |
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| Frequency | 89.3 |
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| Structure | |
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| Chemical Formula | C26H34O12 |
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| Molecular Mass | 538.205 |
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| SMILES | COc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O |
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| InChI Key | GCGNNNQZBMHNGN-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 benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolescarbonyl compoundscarboxylic acidsdibenzylbutane lignansfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylpropanoic acidsprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidlignan glycoside1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedibenzylbutane lignan skeletonsaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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