EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226767 - Nitricquinomycin C

ChEBI IDCHEBI:226767
ChEBI NameNitricquinomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O6
Net Charge0
Average Mass426.469
Monoisotopic Mass426.17909
SMILESCC(=O)c1nc(C)c2c1C(=O)c1ccc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)c(O)c1C2=O
InChIInChI=1S/C23H26N2O6/c1-9-16-18(19(24-9)10(2)26)22(29)13-7-6-12(21(28)17(13)23(16)30)15-8-14(25(4)5)20(27)11(3)31-15/h6-7,11,14-15,20,24,27-28H,8H2,1-5H3/t11-,14-,15-,20-/m1/s1
InChIKeyLGKHMBXASBNFBM-SGZGXEQCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2019.05.060)
ChEBI Ontology
Outgoing Relation(s)
Nitricquinomycin C (CHEBI:226767) is a isoindoles (CHEBI:24897)
IUPAC Name 
1-acetyl-6-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-3-methyl-2H-benzo[]isoindole-4,9-dione
Manual XrefsDatabases
76712503ChemSpider