| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:24 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | COc1ccc2c(c1)OC(O)C(=O)S2(=O)=O |
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| InChI Key | NSRZZLXLOFWWKJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzoxathiinscarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxathiinssulfonesthiolactones |
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| Substituents | carbonyl groupetheralkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compound1,4-benzooxathiinaromatic heteropolycyclic compoundanisolehemiacetalhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compoundsulfone1,4-oxathiin |
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