| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:57 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H30O9 |
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| Molecular Mass | 474.189 |
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| SMILES | COc1ccc(CC2COC(=O)C2Cc2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc1 |
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| InChI Key | XDWUJOCLSGOTQX-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 ethersanisolescarbonyl compoundscarboxylic acid estersdibenzylbutyrolactone lignansgamma butyrolactoneshydrocarbon derivativeslignan lactonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactonemonosaccharidealkyl aryl ethercarboxylic acid derivativelignan lactonelactonesaccharideorganic oxideacetal9,9p-epoxylignanoxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterfuranoid lignansecondary alcoholhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundorganooxygen compound |
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