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CHEBI:226231 - Talarophenol sulfate

ChEBI IDCHEBI:226231
ChEBI NameTalarophenol sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8S
Net Charge0
Average Mass418.423
Monoisotopic Mass418.07224
SMILESCOc1ccc(-c2cc(OS(=O)(=O)O)c(-c3ccc(O)cc3)c(OC)c2O)cc1
InChIInChI=1S/C20H18O8S/c1-26-15-9-5-12(6-10-15)16-11-17(28-29(23,24)25)18(20(27-2)19(16)22)13-3-7-14(21)8-4-13/h3-11,21-22H,1-2H3,(H,23,24,25)
InChIKeyPUSXKTQZMKUOHN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies CMB-W045 (ncbitaxon:1811500) - DOI (10.1016/j.tetlet.2019.151157)
ChEBI Ontology
Outgoing Relation(s)
Talarophenol sulfate (CHEBI:226231) is a para-terphenyl (CHEBI:75874)
IUPAC Name 
[4-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-5-(4-methoxyphenyl)phenyl] hydrogen sulate