Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:53:21 UTC
Update Date2024-04-30 19:33:36 UTC
Metabolite IDMMDBc0000714
Metabolite Identification
Common Name4-Allylphenol sulfate
Description4-Allylphenol sulfate, also known as chavicol hydrogen sulfate or p-allylphenyl sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Allylphenol sulfate has been identified in blood (PMID: 26561314 ).
Structure
Synonyms
ValueSource
4-Allylphenyl hydrogen sulfateChEBI
Chavicol sulfateChEBI
p-Allylphenyl hydrogen sulfateChEBI
p-Allylphenyl sulfateChEBI
4-Allylphenyl hydrogen sulfuric acidGenerator
4-Allylphenyl hydrogen sulphateGenerator
4-Allylphenyl hydrogen sulphuric acidGenerator
Chavicol sulfuric acidGenerator
Chavicol sulphateGenerator
Chavicol sulphuric acidGenerator
p-Allylphenyl hydrogen sulfuric acidGenerator
p-Allylphenyl hydrogen sulphateGenerator
p-Allylphenyl hydrogen sulphuric acidGenerator
p-Allylphenyl sulfuric acidGenerator
p-Allylphenyl sulphateGenerator
p-Allylphenyl sulphuric acidGenerator
4-Allylphenol sulfuric acidGenerator
4-Allylphenol sulphateGenerator
4-Allylphenol sulphuric acidGenerator
Chavicol hydrogen sulfuric acidHMDB
Chavicol hydrogen sulphateHMDB
Chavicol hydrogen sulphuric acidHMDB
4-AllylphenolsulfateHMDB
4-AllylphenolsulphateHMDB
4-Allylphenol sulfateChEBI
Molecular FormulaC9H10O4S
Average Mass214.24
Monoisotopic Mass214.029979976
IUPAC Name[4-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid
Traditional Name[4-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid
CAS Registry NumberNot Available
SMILES
OS(=O)(=O)OC1=CC=C(CC=C)C=C1
InChI Identifier
InChI=1S/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,10,11,12)
InChI KeyKFDHKOFCRYUXLA-UHFFFAOYSA-N