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CHEBI:208191 - Malbranpyrrole A

ChEBI IDCHEBI:208191
ChEBI NameMalbranpyrrole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESC=CC(C)(C)c1c(OC)oc(/C=C/C(C)=C/c2cccn2)c(C)c1=O
InChIInChI=1S/C21H25NO3/c1-7-21(4,5)18-19(23)15(3)17(25-20(18)24-6)11-10-14(2)13-16-9-8-12-22-16/h7-13,22H,1H2,2-6H3/b11-10+,14-13+
InChIKeyFZSREKRTGMZCOT-IWCZYTNJSA-N
Species of MetaboliteComponentSourceComments
Malbranchea cinnamomea (ncbitaxon:5041) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole A (CHEBI:208191) is a pyranone (CHEBI:37963)
IUPAC Name 
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)-6-[(1E,3E)-3-methyl-4-(1H-pyrrol-2-yl)buta-1,3-dienyl]pyran-4-one
Manual XrefsDatabases
27024402ChemSpider