EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220021 - Malbranpyrrole B

ChEBI IDCHEBI:220021
ChEBI NameMalbranpyrrole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO3
Net Charge0
Average Mass325.408
Monoisotopic Mass325.16779
SMILESCC(/C=C/c1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=C\c1cccn1
InChIInChI=1S/C20H23NO3/c1-12(11-15-7-6-10-21-15)8-9-16-13(2)18-17(19(22)24-16)20(4,5)14(3)23-18/h6-11,14,21H,1-5H3/b9-8+,12-11+/t14-/m0/s1
InChIKeyMBCKESWYYQOLQM-JITZOZAKSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (19768713)
ChEBI Ontology
Outgoing Relation(s)
Malbranpyrrole B (CHEBI:220021) is a pyranone (CHEBI:37963)
IUPAC Name 
2,3,3,7-tetramethyl-6-[(1E,3E)-3-methyl-4-(1H-pyrrol-2-yl)buta-1,3-dienyl]-2H-uro[3,2-c]pyran-4-one
Manual XrefsDatabases
27024403ChemSpider