| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:58 UTC |
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| Update Date | 2025-03-21 18:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100421 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C14H12O7S |
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| Molecular Mass | 324.0304 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(c1)OCC(c1ccc(O)cc1)O2 |
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| InChI Key | QYLWMLDGHJBZJT-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 ethersarylsulfatesbenzene and substituted derivativesbenzo-1,4-dioxaneshydrocarbon derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesters |
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| Substituents | 2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanemonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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