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CHEBI:219233 - Okaramine U

ChEBI IDCHEBI:219233
ChEBI NameOkaramine U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O3
Net Charge0
Average Mass402.454
Monoisotopic Mass402.16919
SMILESC[C@@]12C[C@]3(O)c4ccccc4N[C@@H]3N1C(=O)[C@H](Cc1cnc3ccccc13)NC2=O
InChIInChI=1S/C23H22N4O3/c1-22-12-23(30)15-7-3-5-9-17(15)25-20(23)27(22)19(28)18(26-21(22)29)10-13-11-24-16-8-4-2-6-14(13)16/h2-9,11,18,20,24-25,30H,10,12H2,1H3,(H,26,29)/t18-,20+,22-,23-/m0/s1
InChIKeyHSSUFXALVVIPRV-NKRSRWBGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2014.09.019)
ChEBI Ontology
Outgoing Relation(s)
Okaramine U (CHEBI:219233) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9S)-9-hydroxy-4-(1H-indol-3-ylmethyl)-7-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
78438695ChemSpider