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CHEBI:201226 - 2-Hydroxycircumdatin C

ChEBI IDCHEBI:201226
ChEBI Name2-Hydroxycircumdatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13N3O4
Net Charge0
Average Mass323.308
Monoisotopic Mass323.09061
SMILESC[C@H]1NC(=O)c2cc(O)c(O)cc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H13N3O4/c1-8-15-19-11-5-3-2-4-9(11)17(24)20(15)12-7-14(22)13(21)6-10(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m1/s1
InChIKeyXLQDYOAHCASBGI-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - DOI (10.1002/hlca.200900084)
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxycircumdatin C (CHEBI:201226) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7R)-2,3-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Manual XrefsDatabases
78440854ChemSpider