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CHEBI:209038 - Malbranpyrrole D

ChEBI IDCHEBI:209038
ChEBI NameMalbranpyrrole D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22ClNO3
Net Charge0
Average Mass359.853
Monoisotopic Mass359.12882
SMILESCC(/C=C/c1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=C\c1nccc1Cl
InChIInChI=1S/C20H22ClNO3/c1-11(10-15-14(21)8-9-22-15)6-7-16-12(2)18-17(19(23)25-16)20(4,5)13(3)24-18/h6-10,13,22H,1-5H3/b7-6+,11-10+/t13-/m0/s1
InChIKeyIMYZEZLKASQAKN-XAXKVJQESA-N
Species of MetaboliteComponentSourceComments
Malbranchea cinnamomea (ncbitaxon:5041) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole D (CHEBI:209038) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1E,3E)-4-(3-chloro-1H-pyrrol-2-yl)-3-methylbuta-1,3-dienyl]-2,3,3,7-tetramethyl-2H-uro[3,2-c]pyran-4-one
Manual XrefsDatabases
27024405ChemSpider