| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:19:18 UTC |
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| Update Date | 2025-03-25 00:39:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02107869 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C24H18I4O9S |
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| Molecular Mass | 989.685 |
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| SMILES | O=C1OCC(Cc2cc(I)c(Oc3cc(I)c(OS(=O)(=O)O)c(I)c3)c(I)c2)C1Cc1ccc(O)c(O)c1 |
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| InChI Key | UGGQUAICNJGHJZ-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 | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | dibenzylbutyrolactone lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl iodidescarbonyl compoundscarboxylic acid estersdiarylethersdiphenylethersgamma butyrolactoneshydrocarbon derivativesiodobenzeneslignan lactonesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelignan lactonelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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