Showing metabocard for 4-Allylphenol sulfate (MMDBc0000714)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:53:21 UTC
Update Date2022-08-31 06:11:30 UTC
MiMeDB 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
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e0546e8>

Not Available

3D MOL for #<Metabolite:0x000055b76e0546e8>

Not Available

3D SDF for #<Metabolite:0x000055b76e0546e8>

Not Available

3D-SDF for #<Metabolite:0x000055b76e0546e8>

Not Available

PDB for #<Metabolite:0x000055b76e0546e8>

Not Available

3D PDB for #<Metabolite:0x000055b76e0546e8>

Not Available

SMILES for #<Metabolite:0x000055b76e0546e8>

Not Available

INCHI for #<Metabolite:0x000055b76e0546e8>

Not Available
SynonymsNot Available
Chemical FormulaC9H10O4S
Average Molecular Weight214.24
Monoisotopic Molecular Weight214.029979976
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
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