CHEBI:202235 - Spiroquinazoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Spiroquinazoline
ChEBI ID CHEBI:202235
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H19N5O3
Net Charge 0
Average Mass 413.437
Monoisotopic Mass 413.14879
InChI InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1
InChIKey SIIMITFGYHVBGG-FGSBKAERSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5NCC7=O)=O)C
Metabolite of Species Details
Aspergillus flavipes (NCBI:txid41900) See: PubMed
ChEBI Ontology
Outgoing Spiroquinazoline (CHEBI:202235) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(1R,3'aS,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
Manual Xref Database
8584921 ChemSpider
View more database links