| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:50 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5S |
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| Molecular Mass | 256.0405 |
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| SMILES | COc1ccc(O)c(C(=O)CSCC(=O)O)c1 |
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| InChI Key | SGTVJHCREBWJOM-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfenyl compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxide4-alkoxyphenolsulfenyl compounddialkylthioethermethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesthioetheranisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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