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CHEBI:211056 - Aspergillusether C

ChEBI IDCHEBI:211056
ChEBI NameAspergillusether C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21ClO6
Net Charge0
Average Mass392.835
Monoisotopic Mass392.10267
SMILESC/C=C(\C)c1cc(O)c(C)c(O)c1Oc1cc(O)c(Cl)c(C)c1C(=O)OC
InChIInChI=1S/C20H21ClO6/c1-6-9(2)12-7-13(22)10(3)18(24)19(12)27-15-8-14(23)17(21)11(4)16(15)20(25)26-5/h6-8,22-24H,1-5H3/b9-6+
InChIKeyQUPZSFFZSBHXJU-RMKNXTFCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.08.039)
ChEBI Ontology
Outgoing Relation(s)
Aspergillusether C (CHEBI:211056) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 6-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy]-3-chloro-4-hydroxy-2-methylbenzoate
Manual XrefsDatabases
78435258ChemSpider