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CHEBI:218715 - Quinadoline D

ChEBI IDCHEBI:218715
ChEBI NameQuinadoline D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H23N5O4
Net Charge0
Average Mass469.501
Monoisotopic Mass469.17500
SMILESC=C1N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)NC(=C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C26H23N5O4/c1-13(2)20-21-28-17-10-6-4-8-15(17)24(34)30(21)19(22(32)29-20)12-26(35)16-9-5-7-11-18(16)31-23(33)14(3)27-25(26)31/h4-11,19,25,27,35H,3,12H2,1-2H3,(H,29,32)/t19-,25-,26+/m1/s1
InChIKeyCASGJLMWUHYXRZ-BAEUJYSMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31248044)
ChEBI Ontology
Outgoing Relation(s)
Quinadoline D (CHEBI:218715) is a quinazolines (CHEBI:38530)
IUPAC Name 
(4R)-4-[[(3aR,4S)-4-hydroxy-2-methylidene-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-ylidene-4H-pyrazino[2,1-b]quinazoline-3,6-dione
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