| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:09 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129814 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C14H12O8S |
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| Molecular Mass | 340.0253 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(c1)OC(c1ccc(O)c(O)c1)CO2 |
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| InChI Key | QTIVKVFUUNFELB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersarylsulfatesbenzene and substituted derivativesbenzo-1,4-dioxaneshydrocarbon derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundarylsulfate2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxaneorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpara-dioxinsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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