| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:50 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O8S |
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| Molecular Mass | 354.0409 |
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| SMILES | COc1ccc2c(c1)OC(OS(=O)(=O)O)C(c1ccc(O)cc1)O2 |
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| InChI Key | LXDAYHAWUITKTL-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 benzenoidsalkyl aryl ethersalkyl sulfatesanisolesbenzene and substituted derivativesbenzo-1,4-dioxaneshydrocarbon derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfate2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxaneorganic sulfuric acid or derivativesoxacycleorganic oxygen compoundpara-dioxinanisolesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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