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CHEBI:202706 - Pestalotether C

ChEBI IDCHEBI:202706
ChEBI NamePestalotether C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17ClO8
Net Charge0
Average Mass396.779
Monoisotopic Mass396.06120
SMILESCOC(=O)c1cc(OC)c(Cl)c(Oc2cc(C)cc(O)c2C(=O)OC)c1O
InChIInChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-14(19)12(24-2)7-9(15(16)21)17(22)25-3/h5-7,20-21H,1-4H3
InChIKeyUDUNDMNLNSSYAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalotether C (CHEBI:202706) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 4-chloro-2-hydroxy-3-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-5-methoxybenzoate
Manual XrefsDatabases
29214644ChemSpider