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CHEBI:203370 - Penicillithiophenol B

ChEBI IDCHEBI:203370
ChEBI NamePenicillithiophenol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6S
Net Charge0
Average Mass362.403
Monoisotopic Mass362.08241
SMILESCOC(=O)Cc1ccc(O)c(Sc2cc(CC(=O)OC)ccc2O)c1
InChIInChI=1S/C18H18O6S/c1-23-17(21)9-11-3-5-13(19)15(7-11)25-16-8-12(4-6-14(16)20)10-18(22)24-2/h3-8,19-20H,9-10H2,1-2H3
InChIKeyPYWMCFOLHWOMMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25734623)
ChEBI Ontology
Outgoing Relation(s)
Penicillithiophenol B (CHEBI:203370) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
methyl 2-[4-hydroxy-3-[2-hydroxy-5-(2-methoxy-2-oxoethyl)phenyl]sulanylphenyl]acetate
Manual XrefsDatabases
78434760ChemSpider