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CHEBI:216601 - Scequinadoline E

ChEBI IDCHEBI:216601
ChEBI NameScequinadoline E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29N5O4
Net Charge0
Average Mass499.571
Monoisotopic Mass499.22195
SMILESCC(C)=C1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)[C@H](C(C)C)N[C@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C28H29N5O4/c1-14(2)21-23-29-18-11-7-5-9-16(18)25(35)32(23)20(24(34)30-21)13-28(37)17-10-6-8-12-19(17)33-26(36)22(15(3)4)31-27(28)33/h5-12,15,20,22,27,31,37H,13H2,1-4H3,(H,30,34)/t20-,22+,27-,28+/m1/s1
InChIKeyHEWGHFCCTGMGGN-SQSVJPPKSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline E (CHEBI:216601) is a quinazolines (CHEBI:38530)
IUPAC Name 
(4R)-4-[[(2S,3aR,4S)-4-hydroxy-1-oxo-2-propan-2-yl-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-ylidene-4H-pyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
62285728ChemSpider