| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:21 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098936 |
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| Frequency | 27.8 |
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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 | COS(=O)(=O)Oc1cc(O)ccc1C |
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| InChI Key | HSGHMLPXDRXGOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundspara cresolsphenoxy compoundssulfuric acid diesterstoluenes |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesterp-cresolalkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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