| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:18 UTC |
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| Update Date | 2025-03-21 18:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032071 |
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| Frequency | 114.2 |
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| Structure | |
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| Chemical Formula | C8H10O5S |
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| Molecular Mass | 218.0249 |
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| SMILES | Cc1ccc(OCOS(=O)(=O)O)cc1 |
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| InChI Key | OATNXQCAEOALOU-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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