EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216991 - Griseofamine A

ChEBI IDCHEBI:216991
ChEBI NameGriseofamine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O3
Net Charge0
Average Mass364.445
Monoisotopic Mass364.17869
SMILESCC(=O)C1=C(O)[C@@H]2Cc3c(nc4cccc(CC=C(C)C)c34)[C@@H](C)N2C1=O
InChIInChI=1S/C22H24N2O3/c1-11(2)8-9-14-6-5-7-16-19(14)15-10-17-21(26)18(13(4)25)22(27)24(17)12(3)20(15)23-16/h5-8,12,17,23,26H,9-10H2,1-4H3/t12-,17+/m1/s1
InChIKeyYNXOAFCRRKBQSY-PXAZEXFGSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (29578716)
ChEBI Ontology
Outgoing Relation(s)
Griseofamine A (CHEBI:216991) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(3aS,10R)-2-acetyl-3-hydroxy-10-methyl-5-(3-methylbut-2-enyl)-3a,4,9,10-tetrahydroindolizino[6,7-b]indol-1-one
Manual XrefsDatabases
78439357ChemSpider