| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:04 UTC |
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| Update Date | 2025-03-21 18:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036295 |
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| Frequency | 97.5 |
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| Structure | |
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| Chemical Formula | C23H24O9 |
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| Molecular Mass | 444.142 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1cccc(OC2OC(C(=O)O)C(O)C2O)c1 |
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| InChI Key | GCZXFHVMOUEKKL-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonosaccharidesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelignan lactonelactonebeta-hydroxy acidsaccharideorganic oxideacetal9,9p-epoxylignanorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterfuranoid lignansecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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