| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:20 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183800 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O12S |
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| Molecular Mass | 510.0832 |
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| SMILES | O=C1CCC(Cc2cc(O)c(Oc3cc(CC4CCC(=O)O4)cc(O)c3OS(=O)(=O)O)c(O)c2)O1 |
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| InChI Key | VVTFWCSVDNYUHQ-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 lactones |
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| Subclass | lignan lactones |
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| Direct Parent | lignan lactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersdiarylethersdicarboxylic acids and derivativesdiphenylethersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsphenylsulfatesresorcinolssulfuric acid monoesterstetrahydrofurans |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollignan lactonelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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