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CHEBI:214106 - Malbranpyrrole C

ChEBI IDCHEBI:214106
ChEBI NameMalbranpyrrole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24ClNO3
Net Charge0
Average Mass373.880
Monoisotopic Mass373.14447
SMILESC=CC(C)(C)c1c(OC)oc(/C=C/C(C)=C/c2nccc2Cl)c(C)c1=O
InChIInChI=1S/C21H24ClNO3/c1-7-21(4,5)18-19(24)14(3)17(26-20(18)25-6)9-8-13(2)12-16-15(22)10-11-23-16/h7-12,23H,1H2,2-6H3/b9-8+,13-12+
InChIKeyQXYOCNYNBSRUJN-AFAJWACHSA-N
Species of MetaboliteComponentSourceComments
Malbranchea cinnamomea (ncbitaxon:5041) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole C (CHEBI:214106) is a pyranone (CHEBI:37963)
IUPAC Name 
2-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-6-methoxy-3-methyl-5-(2-methylbut-3-en-2-yl)pyran-4-one
Manual XrefsDatabases
27024404ChemSpider