Mol:FL4DACGS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -4.1116    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5908    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0699    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0699    0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5908    1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1116    0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5490    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0281    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0281    0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5490    1.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5490   -0.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4484    1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197    0.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3910    1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3910    1.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197    2.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4484    1.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5623    1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5599   -0.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1377    2.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5908   -0.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3351    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6360   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0575   -0.2443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5245   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8254    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2469   -0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8938   -0.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4850    0.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2594   -0.1392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4822   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0371   -0.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1121   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7964   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0907   -2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6795   -2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9738   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6795   -1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0907   -1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9531   -0.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5623   -1.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9737   -2.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8346   -2.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197    2.7758    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 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  2  0  0  0  0 
 39 34  1  0  0  0  0 
 38 40  1  0  0  0  0 
 37 41  1  0  0  0  0 
 36 42  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 43  2  0  0  0  0 
 16 44  1  0  0  0  0 
 23 19  1  0  0  0  0 
S  SKP  8 
ID	FL4DACGS0010 
KNApSAcK_ID	C00008702 
NAME	Taxillusin 
CAS_RN	66656-93-7 
FORMULA	C28H26O16 
EXACTMASS	618.122084784 
AVERAGEMASS	618.49644 
SMILES	c(c1O)cc(C(C(OC(C5O)OC(C(O)C5O)COC(=O)c(c4)cc(O)c(c(O)4)O)3)Oc(c2)c(C3=O)c(cc(O)2)O)cc1O 
M  END