| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:54 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249144 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O8S |
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| Molecular Mass | 384.0879 |
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| SMILES | COS(=O)(=O)Oc1cc(O)cc(CCC(O)Cc2ccc(O)c(O)c2)c1 |
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| InChI Key | WLOKBHNVHHKVGL-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 | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesarylsulfateshydrocarbon derivativesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | alcoholmonocyclic benzene moietyorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatesecondary alcoholphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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