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CHEBI:214669 - Aspergillether A

ChEBI IDCHEBI:214669
ChEBI NameAspergillether A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILESCC(=O)Oc1cc(C)c(Oc2c(C)cc(C)cc2OC(C)=O)c(C)c1
InChIInChI=1S/C20H22O5/c1-11-7-12(2)20(18(8-11)24-16(6)22)25-19-13(3)9-17(10-14(19)4)23-15(5)21/h7-10H,1-6H3
InChIKeyGKIIQWHVLBHAAV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.12.003)
ChEBI Ontology
Outgoing Relation(s)
Aspergillether A (CHEBI:214669) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[4-(2-acetyloxy-4,6-dimethylphenoxy)-3,5-dimethylphenyl] acetate