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CHEBI:216595 - Scequinadoline D

ChEBI IDCHEBI:216595
ChEBI NameScequinadoline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N5O4
Net Charge0
Average Mass485.544
Monoisotopic Mass485.20630
SMILESCC[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)NC(=C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C27H27N5O4/c1-4-17-25(35)32-19-12-8-6-10-16(19)27(36,26(32)29-17)13-20-23(33)30-21(14(2)3)22-28-18-11-7-5-9-15(18)24(34)31(20)22/h5-12,17,20,26,29,36H,4,13H2,1-3H3,(H,30,33)/t17-,20+,26+,27-/m0/s1
InChIKeyDLUMNMLJWXNQCA-XFFJOWCWSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline D (CHEBI:216595) is a quinazolines (CHEBI:38530)
IUPAC Name 
(4R)-4-[[(2S,3aR,4S)-2-ethyl-4-hydroxy-1-oxo-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
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