Mol:Gomisin A

 
  ACD/Labs11200716593D 
 
 30 33  0  0  0  0  0  0  0  0  1 V2000 
   27.8629   -8.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8034   -8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8629  -10.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8034  -11.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1332   -8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1332  -11.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.0737   -8.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.0737  -10.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.9339  -11.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.4890   -9.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6422  -12.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1385   -6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8035   -5.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.7981   -6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1333   -5.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7111   -8.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.5593   -8.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7111  -10.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.5594  -10.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1386   -4.5699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.7983   -4.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.9579   -6.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.8085   -6.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.4295   -6.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8037   -3.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1283   -4.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.7225   -4.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.4076   -8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.2559   -8.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.2561  -10.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  4  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  7  5  1  0  0  0  0 
  8  6  1  0  0  0  0 
  8  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
 12  2  2  0  0  0  0 
  5  2  1  0  0  0  0 
 13 12  1  0  0  0  0 
 14  5  2  0  0  0  0 
 15 13  2  0  0  0  0 
 15 14  1  0  0  0  0 
 16  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
 17 16  2  0  0  0  0 
 18  3  1  0  0  0  0 
 19 18  2  0  0  0  0 
 13 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 12 23  1  0  0  0  0 
 24 22  1  0  0  0  0 
 20 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 28 17  1  0  0  0  0 
 19 17  1  0  0  0  0 
 29 28  1  0  0  0  0 
 30 29  1  0  0  0  0 
 30 19  1  0  0  0  0 
S  SKP  5 
ID	Gomisin A 
FORMULA	C23H28O7 
EXACTMASS	416.18350325 
AVERAGEMASS	416.46422000000007 
SMILES	COc(c4)c(OC)c(OC)c(c43)c(c(CC(C)C(C)(O)C3)1)c(OC)c(O2)c(OC2)c1 
M  END