Mol:FL3FABGS0023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 59 64  0  0  0  0  0  0  0  0999 V2000 
    0.1347    0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1347   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8492   -0.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5637   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5637    0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8492    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2782   -0.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9926   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9926    0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2782    0.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7071    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4216    0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1360    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1360    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4216    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7071    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2782   -1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8492   -1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8823    2.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5849    0.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5237    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2582    1.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8456    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0472    0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2537    0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6663    1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4647    1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7812    1.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3477    1.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7167    1.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6379    0.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5766    0.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3284    2.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9432    2.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7798    2.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1435   -1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4288   -1.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6380   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4111    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1259   -0.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9168   -1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3541   -1.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4160   -2.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9051   -2.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4803   -2.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0159   -0.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0813   -1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7960   -0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5693   -1.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7785   -2.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0638   -2.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2905   -1.9390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.3705   -2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1698   -1.1911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5412   -0.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1615   -0.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.8629    0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5633    0.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5237    0.3195    0.0000 C   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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
 19 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 20  1  0  0  0  0 
 29 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 36 37  1  1  0  0  0 
 37 38  1  1  0  0  0 
 39 38  1  1  0  0  0 
 39 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 36  1  0  0  0  0 
 41 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 45  1  0  0  0  0 
 38 46  1  0  0  0  0 
 39 31  1  0  0  0  0 
 47 48  1  0  0  0  0 
 48 49  1  1  0  0  0 
 50 49  1  1  0  0  0 
 51 50  1  1  0  0  0 
 51 52  1  0  0  0  0 
 52 47  1  0  0  0  0 
 50 53  1  0  0  0  0 
 49 54  1  0  0  0  0 
 48 55  1  0  0  0  0 
 47 56  1  0  0  0  0 
 51 43  1  0  0  0  0 
 55 57  1  0  0  0  0 
 57 58  2  0  0  0  0 
 57 59  1  0  0  0  0 
S  SKP  5 
ID	FL3FABGS0023 
FORMULA	C38H46O21 
EXACTMASS	838.253158534 
AVERAGEMASS	838.75924 
SMILES	O(C6C)C(C(O)C(C6OC(C)=O)O)OCC(O1)C(O)C(C(O)C(OC(C2O)C(O)C(Oc(c3)cc(O4)c(C(=O)C=C(c(c5)ccc(c5)OC)4)c(O)3)OC(COC(C)=O)2)1)O 
M  END