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CHEBI:225912 - Scequinadoline I

ChEBI IDCHEBI:225912
ChEBI NameScequinadoline I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N5O5
Net Charge0
Average Mass503.559
Monoisotopic Mass503.21687
SMILESCC(C)[C@]1(O)NC(=O)[C@@H](C[C@@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C27H29N5O5/c1-14(2)27(37)23-28-17-11-7-5-9-15(17)21(34)31(23)19(20(33)29-27)13-26(36)16-10-6-8-12-18(16)32-22(26)30-25(3,4)24(32)35/h5-12,14,19,22,30,36-37H,13H2,1-4H3,(H,29,33)/t19-,22+,26-,27-/m1/s1
InChIKeyZCTHXQVUJKDGDA-CRFVJLLTSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (32130008)
ChEBI Ontology
Outgoing Relation(s)
Scequinadoline I (CHEBI:225912) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-4-[[(3aS,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-hydroxy-1-propan-2-yl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
83986152ChemSpider