| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:41 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205097 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O6S |
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| Molecular Mass | 338.0824 |
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| SMILES | O=S(=O)(O)OC(Cc1ccccc1)CC(O)c1cccc(O)c1 |
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| InChI Key | QDUJXLHBTPOHBN-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 sulfatesaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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