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CHEBI:226762 - Nitricquinomycin A

ChEBI IDCHEBI:226762
ChEBI NameNitricquinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O5
Net Charge0
Average Mass384.432
Monoisotopic Mass384.16852
SMILESCc1ncc2c1C(=O)c1c(ccc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)c1O)C2=O
InChIInChI=1S/C21H24N2O5/c1-9-16-13(8-22-9)19(25)12-6-5-11(20(26)17(12)21(16)27)15-7-14(23(3)4)18(24)10(2)28-15/h5-6,8,10,14-15,18,22,24,26H,7H2,1-4H3/t10-,14-,15-,18-/m1/s1
InChIKeySEPWUUNVYBRJCB-YVLZZHOMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2019.05.060)
ChEBI Ontology
Outgoing Relation(s)
Nitricquinomycin A (CHEBI:226762) is a isoindoles (CHEBI:24897)
IUPAC Name 
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
76712501ChemSpider