| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:17 UTC |
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| Update Date | 2025-03-25 00:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H36O19 |
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| Molecular Mass | 712.1851 |
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| SMILES | COc1cc(CC2C(=O)OCC2Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | BKCLGLDMHSTXKD-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid esterfuranoid lignansecondary alcoholphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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