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CHEBI:226562 - Cosmochlorin E

ChEBI IDCHEBI:226562
ChEBI NameCosmochlorin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18Cl2O3
Net Charge0
Average Mass329.223
Monoisotopic Mass328.06330
SMILESCOc1cc(OC)c(Cl)c(/C(C)=C/C(C)=C/C(C)=O)c1Cl
InChIInChI=1S/C16H18Cl2O3/c1-9(7-11(3)19)6-10(2)14-15(17)12(20-4)8-13(21-5)16(14)18/h6-8H,1-5H3/b9-7+,10-6+
InChIKeyBIQMUXKWHDGTAM-IDXDHNASSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29066796)
ChEBI Ontology
Outgoing Relation(s)
Cosmochlorin E (CHEBI:226562) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
(3E,5E)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylhepta-3,5-dien-2-one
Manual XrefsDatabases
78435766ChemSpider