| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:40 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054276 |
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| Frequency | 59.3 |
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| Structure | |
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| Chemical Formula | C8H10O4S |
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| Molecular Mass | 202.03 |
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| SMILES | COc1ccccc1OS(C)(=O)=O |
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| InChI Key | CSPLGDDGIJDAJS-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 ethershydrocarbon derivativesmethanesulfonatesmethoxybenzenesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyetheralkyl aryl etherorganosulfur compoundmethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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