EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216615 - Scequinadoline G

ChEBI IDCHEBI:216615
ChEBI NameScequinadoline G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O3
Net Charge0
Average Mass402.454
Monoisotopic Mass402.16919
SMILESCC(C)=C1NC[C@@H](C[C@@]2(O)C(=O)Nc3ccccc32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C23H22N4O3/c1-13(2)19-20-25-17-9-5-3-7-15(17)21(28)27(20)14(12-24-19)11-23(30)16-8-4-6-10-18(16)26-22(23)29/h3-10,14,24,30H,11-12H2,1-2H3,(H,26,29)/t14-,23+/m1/s1
InChIKeyORLYCPMTZCIIJO-FATZIPQQSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline G (CHEBI:216615) is a quinazolines (CHEBI:38530)
IUPAC Name 
(4R)-4-[[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-1-propan-2-ylidene-3,4-dihydro-2H-pyrazino[2,1-b]quinazolin-6-one
Manual XrefsDatabases
78441754ChemSpider