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CHEBI:216664 - Scequinadoline A

ChEBI IDCHEBI:216664
ChEBI NameScequinadoline A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N5O4
Net Charge0
Average Mass487.560
Monoisotopic Mass487.22195
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C[C@@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24+,27-/m1/s1
InChIKeyVHQZIMAMLQIPDR-MYLOTTRVSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline A (CHEBI:216664) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(3aS,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[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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62285724ChemSpider