Mol:FL7D1DNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
   -1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5007   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5007   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5007    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3573   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5007    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6440   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3573    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6440   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5007    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5007    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6440    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  1  0 
  1  4  2  0 
  2  5  1  0 
  2  6  2  0 
  3  7  1  0 
  3  8  2  0 
  4  9  1  0 
  4 10  1  0 
  5 11  1  0 
  5 12  2  0 
  6 13  1  0 
  7 14  1  0 
  7 15  2  0 
  8 12  1  0 
  9 14  2  0 
 10 16  1  0 
 11 17  2  0 
 13 17  1  0 
 13 18  2  0 
 14 19  1  0 
 15 20  1  0 
 17 21  1  0 
 19 22  1  0 
 20 22  2  0 
 22 23  1  0 
 23 24  1  0 
 23 25  2  0 
 24 26  2  0 
 25 27  1  0 
 26 28  1  0 
 26 29  1  0 
 27 28  2  0 
 28 30  1  0 
 29 31  1  0 
S  SKP  9 
AUTODRAW	FALSE 
ID	FL7D1DNS0001 
KNApSAcK_ID	 
NAME	Sphagnorubin C 
CAS_RN	84018-31-5 
FORMULA	C25H18O6 
EXACTMASS	414.110338308 
AVERAGEMASS	414.40682 
SMILES	COc(c(O)5)cc(cc5)C(=C4)Oc(c3)c(=C4)c(c1)c(c(OC)3)c(c2)c(cc(O)c(=O)2)c1 
M  END