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CHEBI:215491 - 5,6-dimethoxycircumdatin C

ChEBI IDCHEBI:215491
ChEBI Name5,6-dimethoxycircumdatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17N3O4
Net Charge0
Average Mass351.362
Monoisotopic Mass351.12191
SMILESCOc1cc2c(cc1OC)-n1c(nc3ccccc3c1=O)[C@H](C)NC2=O
InChIInChI=1S/C19H17N3O4/c1-10-17-21-13-7-5-4-6-11(13)19(24)22(17)14-9-16(26-3)15(25-2)8-12(14)18(23)20-10/h4-10H,1-3H3,(H,20,23)/t10-/m0/s1
InChIKeyUIJARURXYVNDEQ-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (32315839)
ChEBI Ontology
Outgoing Relation(s)
5,6-dimethoxycircumdatin C (CHEBI:215491) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-2,3-dimethoxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione