| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183616 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H32O17 |
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| Molecular Mass | 664.164 |
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| SMILES | O=C1OC(=O)C(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 | MGLRRPZTMFGMPE-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 anhydridescarboxylic acidsdibenzylbutyrolactone lignansglucuronic acid derivativeshydrocarbon derivativeslactoneslignan lactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivativestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlignan lactone1-o-glucuronidelactonebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofurantetracarboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyranfuranoid lignancarboxylic acid anhydridesecondary alcoholhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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