| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:52 UTC |
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| Update Date | 2025-03-21 18:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097754 |
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| Frequency | 28.2 |
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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(C(O)OS(=O)(=O)O)cc1 |
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| InChI Key | PUEBIGVUKRMGQR-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 | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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