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CHEBI:205826 - Penicillithiophenol A

ChEBI IDCHEBI:205826
ChEBI NamePenicillithiophenol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O6S
Net Charge0
Average Mass390.457
Monoisotopic Mass390.11371
SMILESCCOC(=O)Cc1ccc(O)c(Sc2cc(CC(=O)OCC)ccc2O)c1
InChIInChI=1S/C20H22O6S/c1-3-25-19(23)11-13-5-7-15(21)17(9-13)27-18-10-14(6-8-16(18)22)12-20(24)26-4-2/h5-10,21-22H,3-4,11-12H2,1-2H3
InChIKeyBIDDUTVEIZIAAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25734623)
ChEBI Ontology
Outgoing Relation(s)
Penicillithiophenol A (CHEBI:205826) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
ethyl 2-[3-[5-(2-ethoxy-2-oxoethyl)-2-hydroxyphenyl]sulanyl-4-hydroxyphenyl]acetate
Manual XrefsDatabases
78434954ChemSpider