| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:29 UTC |
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| Update Date | 2025-03-21 18:28:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070509 |
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| Frequency | 42.7 |
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| Structure | |
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| Chemical Formula | C12H16O9S |
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| Molecular Mass | 336.0515 |
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| SMILES | O=S(=O)(O)OC1C(c2ccc(O)c(O)c2)CC(O)C(O)C1O |
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| InChI Key | DLKTYGRHNWMDTM-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescyclitols and derivativescyclohexanolshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | alcoholcyclohexylphenolsulfuric acid monoesterorganic sulfuric acid or derivativescyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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