| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:59 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H44O15 |
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| Molecular Mass | 716.268 |
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| SMILES | COc1cc(CC(COC2Cc3ccc(O)cc3C(C(=O)O)O2)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | DRBWNPDUJSJGAE-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsalkyl aryl ethersalkyl glycosidesanisolescarbonyl compoundscarboxylic acidsdibenzylbutane lignansfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidlignan glycoside1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedibenzylbutane lignan skeletonsaccharideorganic oxideacetalaromatic heteropolycyclic compoundisochromaneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisole2-benzopyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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