EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200769 - Asperdiazapinone B

ChEBI IDCHEBI:200769
ChEBI NameAsperdiazapinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23N3O3
Net Charge0
Average Mass389.455
Monoisotopic Mass389.17394
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1Nc1cc(O)ccc12
InChIInChI=1S/C23H23N3O3/c1-4-22(2,3)23-12-18-19(28)24-16-8-6-5-7-14(16)20(29)26(18)21(23)25-17-11-13(27)9-10-15(17)23/h4-11,18,21,25,27H,1,12H2,2-3H3,(H,24,28)/t18-,21-,23+/m0/s1
InChIKeyDOQZQYIDQPDFDY-AVCGJXAMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2013.11.009)
ChEBI Ontology
Outgoing Relation(s)
Asperdiazapinone B (CHEBI:200769) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2S,10R,12S)-6-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-13,21-dione
Manual XrefsDatabases
35003403ChemSpider