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CHEBI:226177 - Circumdatin M

ChEBI IDCHEBI:226177
ChEBI NameCircumdatin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H13N3O4
Net Charge0
Average Mass335.319
Monoisotopic Mass335.09061
SMILESO=C1c2ccccc2-n2c(nc3c(=O)ccoc3c2=O)[C@H]2CCCN12
InChIInChI=1S/C18H13N3O4/c22-13-7-9-25-15-14(13)19-16-12-6-3-8-20(12)17(23)10-4-1-2-5-11(10)21(16)18(15)24/h1-2,4-5,7,9,12H,3,6,8H2/t12-/m1/s1
InChIKeyIFIGUYSVQWTYDX-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies FM242 (ncbitaxon:2741095) - DOI (10.1016/j.tetlet.2019.05.061)
ChEBI Ontology
Outgoing Relation(s)
Circumdatin M (CHEBI:226177) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(2R)-17-oxa-6,14,22-triazapentacyclo[12.8.0.02,6.08,13.016,21]docosa-1(22),8,10,12,16(21),18-hexaene-7,15,20-trione
Manual XrefsDatabases
75590274ChemSpider