11807698
  CDK     0602212311

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0266    1.9696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8646    0.8121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -1.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -1.9672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    0.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1114    1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949    2.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0 
  1 17  1  0  0  0  0 
  2 16  2  0  0  0  0 
  3  7  1  0  0  0  0 
  4 11  2  0  0  0  0 
  5 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  2  0  0  0  0 
 10 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 15  2  0  0  0  0 
M  END
> <ID>
CHEBI:173897

> <NAME>
(-)-Dioxibrassinin

> <STAR>
2

> <IUPAC_NAME>
methyl N-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]carbamodithioate

> <FORMULA>
C11H12N2O2S2

> <MASS>
268.350

> <MONOISOTOPIC_MASS>
268.03402

> <CHARGE>
0

> <SMILES>
S(C(=S)NCC1(O)C=2C(NC1=O)=CC=CC2)C

> <INCHI>
InChI=1S/C11H12N2O2S2/c1-17-10(16)12-6-11(15)7-4-2-3-5-8(7)13-9(11)14/h2-5,15H,6H2,1H3,(H,12,16)(H,13,14)

> <INCHIKEY>
DXLDPLVGKCAHPY-UHFFFAOYSA-N

$$$$