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CHEBI:227979 - Pestalotether E

ChEBI IDCHEBI:227979
ChEBI NamePestalotether E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCOC(=O)c1cc(OC)cc(Oc2cc(C)cc(O)c2C(=O)OC)c1O
InChIInChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)13(6-9)26-14-8-10(23-2)7-11(16(14)20)17(21)24-3/h5-8,19-20H,1-4H3
InChIKeyQJYQMNNRRRKXNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2018.11.021)
ChEBI Ontology
Outgoing Relation(s)
Pestalotether E (CHEBI:227979) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 2-hydroxy-6-(2-hydroxy-5-methoxy-3-methoxycarbonylphenoxy)-4-methylbenzoate