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CHEBI:206135 - Versiquinazoline H

ChEBI IDCHEBI:206135
ChEBI NameVersiquinazoline H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24N4O4
Net Charge0
Average Mass444.491
Monoisotopic Mass444.17976
SMILESCCC(C)[C@@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23
InChIInChI=1S/C25H24N4O4/c1-3-14(2)20-23(32)28-18-11-7-5-9-16(18)25(33)12-19(22(31)29(20)24(25)28)27-13-26-17-10-6-4-8-15(17)21(27)30/h4-11,13-14,19-20,24,33H,3,12H2,1-2H3/t14?,19-,20+,24+,25-/m0/s1
InChIKeyUUHMOOKGLMRCGV-CGHGEPKVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27933898)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline H (CHEBI:206135) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,10R,13S,15S)-10-butan-2-yl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Manual XrefsDatabases
78438907ChemSpider