| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:37 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O10S |
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| Molecular Mass | 398.0308 |
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| SMILES | COc1cc(C2Oc3cccc(OS(=O)(=O)O)c3OC2C(=O)O)ccc1O |
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| InChI Key | VYOJXQKVESDQNA-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 ethersanisolesarylsulfatesbenzo-1,4-dioxanescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundarylsulfate2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxaneorganic sulfuric acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinanisolesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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