CHEBI:214873 - Quinadoline B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quinadoline B
ChEBI ID CHEBI:214873
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H21N5O3
Net Charge 0
Average Mass 439.475
Monoisotopic Mass 439.16444
InChI InChI=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
InChIKey GACSRZKCZGCRJX-DMTGPLMPSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@H]4NC([C@@H]2C[C@]45C6=C(C=CC=C6)N7[C@H]5N8[C@@H](CCC8)C7=O)=O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438600 ChemSpider
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