| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:09 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28O15S |
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| Molecular Mass | 600.1149 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1cc(OCOS(=O)(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | HWAHTCHYOFIBCV-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundlignan glycosidedibenzylbutyrolactoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlignan lactonelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalalkyl sulfate9,9p-epoxylignanoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundpyrancarboxylic acid esterfuranoid lignansecondary alcoholdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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