| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:50 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237467 |
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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 | O=C1CC(c2ccc(O)c(O)c2)OS1(=O)=O |
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| InChI Key | WEWFFXVQOQXETL-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 | oxathiolanes |
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| Subclass | gamma sultones |
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| Direct Parent | gamma sultones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfonic acid estersthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativesulfonic acid esteroxacycleorganic oxideorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidgamma-sultonethiolactoneorganooxygen compound |
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