EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223196 - Okaramine G

ChEBI IDCHEBI:223196
ChEBI NameOkaramine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34N4O3
Net Charge0
Average Mass522.649
Monoisotopic Mass522.26309
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@H]2C[C@@]3(O)c4ccccc4N(C(C)(C)C=C)[C@H]3N2C1=O
InChIInChI=1S/C32H34N4O3/c1-7-30(3,4)26-20(19-13-9-11-15-22(19)33-26)17-23-28(38)35-25(27(37)34-23)18-32(39)21-14-10-12-16-24(21)36(29(32)35)31(5,6)8-2/h7-17,25,29,33,39H,1-2,18H2,3-6H3,(H,34,37)/b23-17-/t25-,29-,32-/m1/s1
InChIKeyKHWPPFCYPOTQML-TUXURQOUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27392562)
ChEBI Ontology
Outgoing Relation(s)
Okaramine G (CHEBI:223196) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4Z,7R,9R)-9-hydroxy-16-(2-methylbut-3-en-2-yl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
78438260ChemSpider