148202
  CDK     0813212310

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4712   -2.0910    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.5348    3.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0972    2.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3785    2.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9949    3.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    0.8842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468   -1.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -1.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8072    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927   -2.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   -1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6347   -0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5217    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    2.1272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8072    2.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5217    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551   -1.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6765    1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940    2.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5473   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953   -1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8047   -1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5800   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3381   -2.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0968   -3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   -3.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  1 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
  2 22  1  0  0  0  0 
  2 27  1  0  0  0  0 
 16  3  1  1  0  0  0 
  4 19  2  0  0  0  0 
  5 27  2  0  0  0  0 
  6  9  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 19  1  0  0  0  0 
  7 14  2  0  0  0  0 
  7 26  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  8 14  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 20  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 18  2  0  0  0  0 
 12 13  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 21  1  0  0  0  0 
 16 27  1  0  0  0  0 
 17 19  1  0  0  0  0 
 17 22  1  0  0  0  0 
 20 26  1  0  0  0  0 
 20 28  2  0  0  0  0 
 21 29  1  0  0  0  0 
 26 30  2  0  0  0  0 
 28 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 31 32  2  0  0  0  0 
M  END
> <ID>
CHEBI:177492

> <NAME>
cositecan

> <STAR>
2

> <IUPAC_NAME>
(19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

> <FORMULA>
C25H28N2O4Si

> <MASS>
448.594

> <MONOISOTOPIC_MASS>
448.18183

> <CHARGE>
0

> <SMILES>
[Si](CCC1=C2CN3C(C2=NC=4C1=CC=CC4)=CC=5[C@@](O)(CC)C(OCC5C3=O)=O)(C)(C)C

> <INCHI>
InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1

> <INCHIKEY>
POADTFBBIXOWFJ-VWLOTQADSA-N

> <CAS_REGISTRY_NUMBER>
203923-89-1

> <CHEMIDPLUS>
203923-89-1

> <DRUGBANK_ACCESSION>
DB05806

> <KEGG_DRUG_ACCESSION>
D09327

$$$$