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CHEBI:214873 - Quinadoline B

ChEBI IDCHEBI:214873
ChEBI NameQuinadoline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H21N5O3
Net Charge0
Average Mass439.475
Monoisotopic Mass439.16444
SMILESO=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1C[C@]21c2ccccc2N2C(=O)[C@@H]3CCCN3[C@H]21
InChIInChI=1S/C25H21N5O3/c31-21-18-12-25(19(27-21)20-26-15-8-3-1-6-13(15)22(32)29(18)20)14-7-2-4-9-16(14)30-23(33)17-10-5-11-28(17)24(25)30/h1-4,6-9,17-19,24H,5,10-12H2,(H,27,31)/t17-,18-,19+,24+,25-/m0/s1
InChIKeyGACSRZKCZGCRJX-DMTGPLMPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (18922003)
ChEBI Ontology
Outgoing Relation(s)
Quinadoline B (CHEBI:214873) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1'S,8S,9R,12'S,14S)-spiro[1,10-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-3',14',15-trione
Manual XrefsDatabases
78438600ChemSpider