| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:19 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4S |
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| Molecular Mass | 264.0456 |
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| SMILES | COc1ccc(-c2oc(SC)cc(=O)c2O)cc1 |
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| InChI Key | PBUOKHSLKOUBBV-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioetherscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivativessulfenyl compoundsvinylogous thioesters |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundcyclic ketonealkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidepyranoneorganoheterocyclic compoundvinylogous thioestersulfenyl compoundheteroaromatic compoundmethoxybenzeneoxacycleorganic oxygen compoundthioetherpyrananisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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