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CHEBI:210400 - Pestalotether A

ChEBI IDCHEBI:210400
ChEBI NamePestalotether A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17ClO8
Net Charge0
Average Mass396.779
Monoisotopic Mass396.06120
SMILESCOC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)OC
InChIInChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-9(17(22)25-3)7-12(24-2)14(19)15(16)21/h5-7,20-21H,1-4H3
InChIKeyUNYKCSQBZSEKRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalotether A (CHEBI:210400) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-5-methoxybenzoate
Manual XrefsDatabases
28289711ChemSpider