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CHEBI:227280 - Malbranpyrrole F

ChEBI IDCHEBI:227280
ChEBI NameMalbranpyrrole F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20ClNO3
Net Charge0
Average Mass345.826
Monoisotopic Mass345.11317
SMILESC/C(=C\C=C\c1nccc1Cl)c1cc2c(c(=O)o1)C(C)(C)[C@H](C)O2
InChIInChI=1S/C19H20ClNO3/c1-11(6-5-7-14-13(20)8-9-21-14)15-10-16-17(18(22)24-15)19(3,4)12(2)23-16/h5-10,12,21H,1-4H3/b7-5+,11-6+/t12-/m0/s1
InChIKeyBWWOPVHQIVCIES-UPQQIDETSA-N
Species of MetaboliteComponentSourceComments
Malbranchea cinnamomea (ncbitaxon:5041) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole F (CHEBI:227280) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2E,4E)-5-(3-chloro-1H-pyrrol-2-yl)penta-2,4-dien-2-yl]-2,3,3-trimethyl-2H-uro[3,2-c]pyran-4-one
Manual XrefsDatabases
27024407ChemSpider