EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208408 - Circumdatin G

ChEBI IDCHEBI:208408
ChEBI NameCircumdatin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N3O3
Net Charge0
Average Mass307.309
Monoisotopic Mass307.09569
SMILESC[C@@H]1NC(=O)c2ccccc2-n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKeyVNCYXASDDCJEJE-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (11170686)
ChEBI Ontology
Outgoing Relation(s)
Circumdatin G (CHEBI:208408) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Manual XrefsDatabases
8979942ChemSpider