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CHEBI:207182 - Malbranpyrrole E

ChEBI IDCHEBI:207182
ChEBI NameMalbranpyrrole E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22ClNO3
Net Charge0
Average Mass359.853
Monoisotopic Mass359.12882
SMILESC=CC(C)(C)c1c(OC)cc(/C(C)=C/C=C/c2nccc2Cl)oc1=O
InChIInChI=1S/C20H22ClNO3/c1-6-20(3,4)18-17(24-5)12-16(25-19(18)23)13(2)8-7-9-15-14(21)10-11-22-15/h6-12,22H,1H2,2-5H3/b9-7+,13-8+
InChIKeyKMCWFIGQAAUEOM-AVPQAVFTSA-N
Species of MetaboliteComponentSourceComments
Malbranchea cinnamomea (ncbitaxon:5041) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole E (CHEBI:207182) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2E,4E)-5-(3-chloro-1H-pyrrol-2-yl)penta-2,4-dien-2-yl]-4-methoxy-3-(2-methylbut-3-en-2-yl)pyran-2-one
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27024406ChemSpider