| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:10 UTC |
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| Update Date | 2025-03-21 18:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036548 |
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| Frequency | 96.7 |
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| Structure | |
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| Chemical Formula | C25H28O11 |
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| Molecular Mass | 504.1632 |
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| SMILES | COc1cc(CC2C(=O)OCC2Cc2cccc(O)c2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ISFCKPIQSWVQLN-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 ethersalkyl glycosidesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarboxylic acidlignan glycosideo-glucuronidemonosaccharidepyran carboxylic acidlignan lactone1-o-glucuronidebeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundalcoholmethoxybenzeneanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxide9,9p-epoxylignanpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundpyranfuranoid lignansecondary alcoholtetrahydrofuran lignanbenzenoidorganooxygen compoundalkyl glycoside |
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