Mol:FL5FACGS0081

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 54 59  0  0  0  0  0  0  0  0999 V2000 
    2.8422    3.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8422    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5566    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2711    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2711    3.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5566    3.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1278    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4133    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6988    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6988    0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4133    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1278    0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0157    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7300    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7300    0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0157    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4133   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4445    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8422    0.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0157   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8630    3.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8996    1.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1703    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7577    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9594    2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1659    2.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5784    2.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3768    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6974    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3409    3.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8996    2.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4525    2.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3663    1.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6823   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3972   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1406   -0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9627   -0.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2479   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5044   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0979   -1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7947   -1.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9845   -1.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1070   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6631   -2.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4165   -3.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9405   -2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7162   -2.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9629   -1.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4388   -2.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8870   -2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3153   -2.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1646   -3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6964   -3.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9826   -2.7635    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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  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 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 18  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  1  0  0  0 
 37 36  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 34  1  0  0  0  0 
 37 40  1  0  0  0  0 
 36 41  1  0  0  0  0 
 35 42  1  0  0  0  0 
 34 43  1  0  0  0  0 
 44 45  1  1  0  0  0 
 45 46  1  1  0  0  0 
 47 46  1  1  0  0  0 
 47 48  1  0  0  0  0 
 48 49  1  0  0  0  0 
 49 44  1  0  0  0  0 
 49 50  1  0  0  0  0 
 50 51  1  0  0  0  0 
 44 52  1  0  0  0  0 
 45 53  1  0  0  0  0 
 46 54  1  0  0  0  0 
 38 19  1  0  0  0  0 
 47 40  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGS0081 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	O(C(C)2)C(OC(=C(c(c6)ccc(O)c6O)5)C(=O)c(c4O5)c(cc(c4)OC(C(O)3)OC(CO)C(O)C3O)O)C(C(C2O)O)OC(O1)C(C(C(O)C1CO)O)O 
M  END
Mol:FL5FACGS0081

Personal tools

Namespaces

Variants

Views

Actions

Search

Navigation

metabolites

Toolbox
