| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:41 UTC |
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| Update Date | 2025-03-21 18:38:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121607 |
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| Frequency | 21.3 |
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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=C(CSc1ccc(O)cc1)c1c(O)cc(O)cc1O |
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| InChI Key | JNZFTAZXUIGWGG-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 | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesalkylarylthioethersaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundaryl thioetherphloroglucinol derivativeorganic oxidethiophenolthiophenol etheracylphloroglucinol derivativesulfenyl compoundbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidthioetherphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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