Mol:FL1CA8NP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
    3.0866    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0866   -0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6429   -0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1992   -0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1992    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6429    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9534   -0.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5097   -0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3973   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8364   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3973   -1.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8364    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2837    0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2689    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2689   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2837   -0.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2837   -1.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8214   -0.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3740   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3740    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6429   -1.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9253    0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8214    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0022    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5524    0.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1025    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6515    0.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1992    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6515    1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5305    0.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3889    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 20 19  1  0  0  0  0 
  3 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 20 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 20 24  1  0  0  0  0 
  1 30  1  0  0  0  0 
 12 31  1  0  0  0  0 
S  SKP  8 
ID	FL1CA8NP0003 
KNApSAcK_ID	C00007154 
NAME	Flemiwallichin A 
CAS_RN	58264-33-8 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	c(c1O)(C=3)c(OC(C)(C3)CCC=C(C)C)cc(c1C(=O)C=Cc(c2O)c(ccc2)O)O 
M  END