| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219224 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O3S |
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| Molecular Mass | 186.0351 |
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| SMILES | COc1ccc(C[SH](=O)=O)cc1 |
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| InChI Key | RPKCEHYIGIKAHT-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylthiolshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfur compoundsphenoxy compoundss-alkylsulfenates |
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| Substituents | s-alkylsulfenatemonocyclic benzene moietyetheralkyl aryl etherorganosulfur compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundalkylthiolorganooxygen compound |
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