| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:33 UTC |
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| Update Date | 2025-03-21 18:34:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101887 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C14H12O5S |
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| Molecular Mass | 292.0405 |
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| SMILES | O=S1(=O)c2ccc(O)cc2OCC1c1ccc(O)cc1 |
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| InChI Key | SHPGCSQOANUKQU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativesbenzoxathiinshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxathiinssulfones |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxide1,4-benzooxathiinaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundsulfone1,4-oxathiin |
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