| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178853 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S2 |
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| Molecular Mass | 384.0337 |
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| SMILES | COc1ccc(C2Sc3cc(OC)ccc3OC2OS(=O)(=O)O)cc1 |
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| InChI Key | MLUMAVGEKSWJKH-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 ethersalkyl sulfatesalkylarylthioethersbenzoxathiinshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxathiinsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etheralkylarylthioetheraryl thioetherorganic oxide1,4-benzooxathiinaromatic heteropolycyclic compoundalkyl sulfateorganoheterocyclic compoundorganic sulfuric acid or derivativesmethoxybenzeneoxacycleorganic oxygen compoundthioetheranisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound1,4-oxathiin |
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