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CHEBI:215503 - 3-methoxyglyantrypine

ChEBI IDCHEBI:215503
ChEBI Name3-methoxyglyantrypine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18N4O3
Net Charge0
Average Mass374.400
Monoisotopic Mass374.13789
SMILESCOC1NC(=O)[C@@H](Cc2cnc3ccccc23)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H18N4O3/c1-28-20-18-23-16-9-5-3-7-14(16)21(27)25(18)17(19(26)24-20)10-12-11-22-15-8-4-2-6-13(12)15/h2-9,11,17,20,22H,10H2,1H3,(H,24,26)/t17-,20?/m1/s1
InChIKeyUTUJBHLDRNZJJR-DIAVIDTQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (32315839)
ChEBI Ontology
Outgoing Relation(s)
3-methoxyglyantrypine (CHEBI:215503) is a quinazolines (CHEBI:38530)
IUPAC Name 
(4R)-4-(1H-indol-3-ylmethyl)-1-methoxy-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione