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CHEBI:219227 - Okaramine T

ChEBI IDCHEBI:219227
ChEBI NameOkaramine T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30N4O3
Net Charge0
Average Mass470.573
Monoisotopic Mass470.23179
SMILESCC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@]4(C)C[C@]5(O)c6ccccc6N[C@@H]5N4C3=O)cnc12
InChIInChI=1S/C28H30N4O3/c1-16(2)11-12-17-7-6-8-19-18(14-29-23(17)19)13-22-24(33)32-25-28(35,15-27(32,3)26(34)31-22)20-9-4-5-10-21(20)30-25/h4-11,14,22,25,29-30,35H,12-13,15H2,1-3H3,(H,31,34)/t22-,25+,27-,28-/m0/s1
InChIKeyMAWXLVYQWGQMKX-MZRLSVQCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2014.09.019)
ChEBI Ontology
Outgoing Relation(s)
Okaramine T (CHEBI:219227) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9S)-9-hydroxy-7-methyl-4-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
78438694ChemSpider