| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:14 UTC |
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| Update Date | 2025-03-21 18:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024839 |
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| Frequency | 156.2 |
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| Structure | |
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| Chemical Formula | C25H28O10 |
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| Molecular Mass | 488.1682 |
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| SMILES | COc1cccc(CC2COC(=O)C2Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)c1 |
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| InChI Key | QHYBWBRPHSDWIS-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 | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid esterfuranoid lignansecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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