| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:50 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047752 |
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| Frequency | 69.6 |
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| Structure | |
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| Chemical Formula | C30H34O16 |
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| Molecular Mass | 650.1847 |
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| SMILES | O=C1OCC(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C1Cc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | RIDDHKLCIOHMEA-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundpyrancarboxylic acid esterfuranoid lignansecondary alcoholhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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