| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:27 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O4S |
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| Molecular Mass | 242.0613 |
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| SMILES | CC(c1ccc(O)cc1)C1CCS(=O)(=O)O1 |
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| InChI Key | ISUFRRAERINWDN-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 benzenoidsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundssulfonic acid esters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfonic acid estersulfonic acid esteroxacycleorganic oxideorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidgamma-sultoneorganooxygen compound |
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