-ISIS-  08091621332D

 18 21  0  0  0  0  0  0  0  0999 V2000
    0.3417   -0.3958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2208    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0958    1.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0833    0.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0333   -0.9083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7958   -1.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8833    0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0833    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
  7  6  1  0  0  0  0
  5  4  1  0  0  0  0
 11 12  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
>  <ID> (BBL000792)
BBL000792

>  <Rotatable_Bonds> (BBL000792)
2

>  <logP> (BBL000792)
0.367

>  <PSA> (BBL000792)
74.68

>  <H_Donors> (BBL000792)
1

>  <H_Acceptors> (BBL000792)
4

>  <Number_of_rings> (BBL000792)
5

>  <NAME> (BBL000792)
(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetic acid

>  <Mol_Weight> (BBL000792)
247.25

>  <Mol_Formula> (BBL000792)
C13H13NO4

>  <Smiles> (BBL000792)
OC(=O)CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2

>  <Alternative_identifier> (BBL000792)
MFCD02189053

$$$$