| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:42 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052124 |
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| Frequency | 62.5 |
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| Structure | |
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| Chemical Formula | C14H12O3S |
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| Molecular Mass | 260.0507 |
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| SMILES | Oc1ccc(C2COc3cc(O)ccc3S2)cc1 |
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| InChI Key | LSYXJKKWSVPQHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersbenzene and substituted derivativesbenzoxathiinshydrocarbon derivativesoxacyclic compoundsoxathiins |
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| Substituents | monocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioetheraryl thioetheroxacycleorganic oxygen compound1,4-benzooxathiinaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound1,4-oxathiin |
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