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CHEBI:199270 - Pestalotether D

ChEBI IDCHEBI:199270
ChEBI NamePestalotether D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCOC(=O)c1cc(OC)cc(O)c1Oc1cc(C)cc(O)c1C(=O)OC
InChIInChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)14(6-9)26-16-11(17(21)24-3)7-10(23-2)8-13(16)20/h5-8,19-20H,1-4H3
InChIKeyQVUUGDKCVIHHKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalotether D (CHEBI:199270) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual XrefsDatabases
23550608ChemSpider