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CHEBI:197652 - Penicillither

ChEBI IDCHEBI:197652
ChEBI NamePenicillither
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17ClO8
Net Charge0
Average Mass396.779
Monoisotopic Mass396.06120
SMILESCOC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)OC
InChIInChI=1S/C18H17ClO8/c1-8-5-11(21)13(18(23)26-4)16(14(8)19)27-15-10(17(22)25-3)6-9(20)7-12(15)24-2/h5-7,20-21H,1-4H3
InChIKeyDLXJKSNQVHUUOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2014.05.105)
ChEBI Ontology
Outgoing Relation(s)
Penicillither (CHEBI:197652) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual XrefsDatabases
22369951ChemSpider