| 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 | DMID02222530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O6S |
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| Molecular Mass | 362.0824 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1ccc(S(=O)(=O)O)cc1 |
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| InChI Key | FLIBGHYVHNNGFC-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 benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonylstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganosulfonic aciddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundcarboxylic acid derivativelignan lactonelactoneorganic oxideorganoheterocyclic compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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