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CHEBI:226757 - Nitricquinomycin B

ChEBI IDCHEBI:226757
ChEBI NameNitricquinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O6
Net Charge0
Average Mass412.442
Monoisotopic Mass412.16344
SMILESCN[C@@H]1C[C@H](c2ccc3c(c2O)C(=O)c2c(C)nc(C(C)=O)c2C3=O)O[C@H](C)[C@H]1O
InChIInChI=1S/C22H24N2O6/c1-8-15-17(18(24-8)9(2)25)21(28)12-6-5-11(20(27)16(12)22(15)29)14-7-13(23-4)19(26)10(3)30-14/h5-6,10,13-14,19,23-24,26-27H,7H2,1-4H3/t10-,13-,14-,19-/m1/s1
InChIKeyZRAWSUQCZRNTQZ-LFMWZXAVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2019.05.060)
ChEBI Ontology
Outgoing Relation(s)
Nitricquinomycin B (CHEBI:226757) is a isoindoles (CHEBI:24897)
IUPAC Name 
1-acetyl-5-hydroxy-6-[(2R,4R,5S,6R)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methyl-2H-benzo[]isoindole-4,9-dione
Manual XrefsDatabases
76712502ChemSpider