EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198260 - Cyclopiamide B

ChEBI IDCHEBI:198260
ChEBI NameCyclopiamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O4
Net Charge0
Average Mass352.390
Monoisotopic Mass352.14231
SMILESC[C@@H](CC(=O)O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C
InChIInChI=1S/C20H20N2O4/c1-10(8-14(23)24)22-19(26)16-12(20(22,2)3)9-11-6-5-7-13-15(11)17(16)18(25)21(13)4/h5-7,9-10H,8H2,1-4H3,(H,23,24)/t10-/m0/s1
InChIKeyRFCUQENFPAOEMH-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2014.12.031)
ChEBI Ontology
Outgoing Relation(s)
Cyclopiamide B (CHEBI:198260) is a isoindoles (CHEBI:24897)
IUPAC Name 
3-(5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaen-4-yl)butanoic acid
Manual XrefsDatabases
35516784ChemSpider