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CHEBI:198051 - Circumdatin L

ChEBI IDCHEBI:198051
ChEBI NameCircumdatin L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N3O3
Net Charge0
Average Mass307.309
Monoisotopic Mass307.09569
SMILESC[C@@H]1NC(=O)c2ccccc2-n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQAMUEVCOVRRFPK-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23701598)
ChEBI Ontology
Outgoing Relation(s)
Circumdatin L (CHEBI:198051) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
Manual XrefsDatabases
30771151ChemSpider