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CHEBI:222056 - Aspersidone

Default Structure
ChEBI IDCHEBI:222056
ChEBI NameAspersidone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18Cl2O5
Net Charge0
Average Mass409.265
Monoisotopic Mass408.05313
SMILESCC=C(C)c1c(Cl)c(OC)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2
InChIInChI=1S/C20H18Cl2O5/c1-6-8(2)13-16(22)17(25-5)10(4)18-19(13)26-12-7-11(23)15(21)9(3)14(12)20(24)27-18/h6-7,23H,1-5H3
InChIKeyXVNAFNBOGQDDHW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2016.08.040)
ChEBI Ontology
Outgoing Relation(s)
Aspersidone (CHEBI:222056) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
1-but-2-en-2-yl-2,8-dichloro-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one