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CHEBI:223623 - Circumdatin I

ChEBI IDCHEBI:223623
ChEBI NameCircumdatin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N3O4
Net Charge0
Average Mass323.308
Monoisotopic Mass323.09061
SMILESC[C@@H]1NC(=O)c2cc(O)ccc2-n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1
InChIKeyFNYZNOYSZSYMAX-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Exophialaspecies (ncbitaxon:1718875) - PubMed (18305359)
ChEBI Ontology
Outgoing Relation(s)
Circumdatin I (CHEBI:223623) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-3,9-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Manual XrefsDatabases
27023210ChemSpider