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CHEBI:216590 - Scequinadoline C

ChEBI IDCHEBI:216590
ChEBI NameScequinadoline C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N5O4
Net Charge0
Average Mass501.587
Monoisotopic Mass501.23760
SMILESCC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C28H31N5O4/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/h5-12,14-15,20-22,27,31,37H,13H2,1-4H3,(H,30,34)/t20-,21+,22+,27-,28+/m1/s1
InChIKeyRWRQTCRLPXXHPH-RWZIALJFSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline C (CHEBI:216590) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,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-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
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