Mol:FL1CRTNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
   -3.5040    0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5040   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0931   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6823   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6823    0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0931    0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2715   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8619   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4534   -0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0450   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6125   -0.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1801   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1801    0.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6125    0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0450    0.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7242   -0.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5442   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0347   -0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5251   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5251    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0347    0.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5442    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6125    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0010    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3895    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3895    0.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4534   -1.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0146   -0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0347   -1.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0146    0.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0347    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5040   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0146   -1.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0548    0.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2522    0.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6897    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0606    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6125   -1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 15  1  0  0  0  0 
  9 27  2  0  0  0  0 
 16 12  1  0  0  0  0 
 19 28  1  0  0  0  0 
 18 29  1  0  0  0  0 
 20 30  1  0  0  0  0 
 21 31  1  0  0  0  0 
 28 32  1  0  0  0  0 
 28 33  2  0  0  0  0 
 22 34  1  0  0  0  0 
 13 35  1  0  0  0  0 
 25 36  1  1  0  0  0 
 25 37  1  6  0  0  0 
 11 38  1  0  0  0  0 
S  SKP  8 
ID	FL1CRTNP0001 
KNApSAcK_ID	C00002708 
NAME	Rottlerin 
CAS_RN	82-08-6 
FORMULA	C30H28O8 
EXACTMASS	516.178417872 
AVERAGEMASS	516.5385200000001 
SMILES	c(C(C)=O)(c(O)1)c(O)c(Cc(c(O)3)c(O)c(C(=O)C=Cc(c4)cccc4)c(c32)OC(C)(C)C=C2)c(O)c1C 
M  END