| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:48 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133642 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C15H14O7S |
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| Molecular Mass | 338.046 |
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| SMILES | COc1ccc(C2COc3ccc(S(=O)(=O)O)cc3O2)cc1O |
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| InChI Key | PHYGQLJYLVSMMD-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 benzenoids1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzo-1,4-dioxaneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfonic acidsoxacyclic compoundspara dioxinsphenoxy compoundssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compound2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-sulfo,2-unsubstituted aromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativespara-dioxinorganic sulfonic acid or derivativesanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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