Mol:FL2FALNI0036

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 39  0  0  0  0  0  0  0  0999 V2000 
   -0.0300   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0114   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7658   -1.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4206   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4348    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7091    0.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1755   -1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8493   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8401    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1562    0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5546    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2457    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9570    0.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9775    1.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2658    1.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5454    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1755   -1.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7444    0.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6793    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7658   -1.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2457   -0.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7256    1.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0737    2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5445    1.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5445    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1850    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6780   -1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3925   -0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1070   -1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1070   -2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8214   -0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5359   -1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2504   -0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9648   -1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9648   -2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6793   -0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8679    1.7224    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  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 34 35  1  0  0  0  0 
 34 36  1  0  0  0  0 
 16 37  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNI0036 
KNApSAcK_ID	C00014189 
NAME	Tomentosanol E;5,7,2',4',6'-Pentahydroxy-8-prenyl-6-geranylflavanone 
CAS_RN	202054-74-8 
FORMULA	C30H36O7 
EXACTMASS	508.246103506 
AVERAGEMASS	508.60264000000006 
SMILES	Oc(c(CC=C(C)CCC=C(C)C)1)c(C(=O)2)c(OC(c(c(O)3)c(O)cc(c3)O)C2)c(CC=C(C)C)c1O 
M  END