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CHEBI:211063 - Aspergillusether D

ChEBI IDCHEBI:211063
ChEBI NameAspergillusether D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20Cl2O6
Net Charge0
Average Mass427.280
Monoisotopic Mass426.06369
SMILESC/C=C(\C)c1c(Cl)c(O)c(C)c(O)c1Oc1cc(O)c(Cl)c(C)c1C(=O)OC
InChIInChI=1S/C20H20Cl2O6/c1-6-8(2)13-16(22)17(24)10(4)18(25)19(13)28-12-7-11(23)15(21)9(3)14(12)20(26)27-5/h6-7,23-25H,1-5H3/b8-6+
InChIKeyJYBXDWXPXSTXCT-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.08.039)
ChEBI Ontology
Outgoing Relation(s)
Aspergillusether D (CHEBI:211063) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 6-[2-[(E)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylphenoxy]-3-chloro-4-hydroxy-2-methylbenzoate
Manual XrefsDatabases
78435259ChemSpider