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CHEBI:227548 - Epi-cladoquinazoline

ChEBI IDCHEBI:227548
ChEBI NameEpi-cladoquinazoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O4
Net Charge0
Average Mass418.453
Monoisotopic Mass418.16411
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C[C@]2(O)C(=O)Nc3ccccc32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C23H22N4O4/c1-12(2)18-19-24-15-9-5-3-7-13(15)21(29)27(19)17(20(28)26-18)11-23(31)14-8-4-6-10-16(14)25-22(23)30/h3-10,12,17-18,31H,11H2,1-2H3,(H,25,30)(H,26,28)/t17-,18+,23-/m1/s1
InChIKeyAXQQCFJZSGWPAR-IEGUWTFLSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (23758051)
ChEBI Ontology
Outgoing Relation(s)
Epi-cladoquinazoline (CHEBI:227548) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
30770977ChemSpider