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CHEBI:204104 - Circumdatin C

ChEBI IDCHEBI:204104
ChEBI NameCircumdatin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N3O3
Net Charge0
Average Mass307.309
Monoisotopic Mass307.09569
SMILESC[C@@H]1NC(=O)c2cc(O)ccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H13N3O3/c1-9-15-19-13-5-3-2-4-11(13)17(23)20(15)14-7-6-10(21)8-12(14)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKeyRZQWOVDHZGSLCQ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (11674237)
ChEBI Ontology
Outgoing Relation(s)
Circumdatin C (CHEBI:204104) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-3-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Manual XrefsDatabases
8670324ChemSpider