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CHEBI:224709 - 3-O-isobutyrylkinamycin C

ChEBI IDCHEBI:224709
ChEBI Name3-O-isobutyrylkinamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26N2O11
Net Charge0
Average Mass566.519
Monoisotopic Mass566.15366
SMILESCC(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC(=O)C(C)C
InChIInChI=1S/C28H26N2O11/c1-11(2)27(37)41-28(6)25(39-13(4)32)21-19(24(38-12(3)31)26(28)40-14(5)33)18-20(30(21)10-29)23(36)17-15(22(18)35)8-7-9-16(17)34/h7-9,11,24-26,34H,1-6H3/t24-,25+,26+,28+/m0/s1
InChIKeyOXMAIWPKYNHSOM-QALYSUAOSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (2708140)
ChEBI Ontology
Outgoing Relation(s)
3-O-isobutyrylkinamycin C (CHEBI:224709) is a carbazoles (CHEBI:48513)
IUPAC Name 
[(1S,2R,3R,4R)-1,2,4-triacetyloxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-3-yl] 2-methylpropanoate
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