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CHEBI:224705 - 4-deacetyl-4-O-isobutyrylkinamycin C

ChEBI IDCHEBI:224705
ChEBI Name4-deacetyl-4-O-isobutyrylkinamycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20N2O9
Net Charge0
Average Mass480.429
Monoisotopic Mass480.11688
SMILESCC(=O)O[C@H]1[C@@H](C)[C@H](OC(C)=O)c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@@H]1OC(C)=O
InChIInChI=1S/C24H20N2O9/c1-9-22(33-10(2)27)19-17(24(35-12(4)29)23(9)34-11(3)28)16-18(26(19)8-25)21(32)15-13(20(16)31)6-5-7-14(15)30/h5-7,9,22-24,30H,1-4H3/t9-,22-,23-,24-/m0/s1
InChIKeyCLWRIZLHGISADS-VBJSWAQPSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (2708140)
ChEBI Ontology
Outgoing Relation(s)
4-deacetyl-4-O-isobutyrylkinamycin C (CHEBI:224705) is a carbazoles (CHEBI:48513)
IUPAC Name 
[(1S,2S,3S,4S)-1,4-diacetyloxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-1,2,3,4-tetrahydrobenzo[b]carbazol-2-yl] acetate
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