| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:46 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052269 |
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| Frequency | 62.3 |
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| Structure | |
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| Chemical Formula | C12H18O9S |
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| Molecular Mass | 338.0672 |
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| SMILES | O=S(=O)(O)OCOC(O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | WQULPRIJIZTJBF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativeshemiacetalshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterhemiacetalhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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