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CHEBI:199141 - Pestalotether B

ChEBI IDCHEBI:199141
ChEBI NamePestalotether B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15ClO6
Net Charge0
Average Mass338.743
Monoisotopic Mass338.05572
SMILESCOC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1
InChIInChI=1S/C16H15ClO6/c1-8-4-9(18)6-10(5-8)23-15-11(16(20)22-3)7-12(21-2)13(17)14(15)19/h4-7,18-19H,1-3H3
InChIKeyFNPOHLRKVIRQFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalotether B (CHEBI:199141) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate
Manual XrefsDatabases
29214643ChemSpider