| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O6S |
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| Molecular Mass | 288.0668 |
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| SMILES | O=S(=O)(O)Oc1cc(C2CCC(O)CC2)ccc1O |
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| InChI Key | OZQSNWAWFBTDPA-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 | cyclohexylphenols |
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| Direct Parent | cyclohexylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | alcoholcyclohexylphenolsulfuric acid monoesterorganic sulfuric acid or derivativescyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound |
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