Mol:FL1C2ANP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
    2.9800    0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9800   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5363   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0926   -0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0926    0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5363    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8467   -0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4030   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2906   -0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7297   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2906   -1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7297    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1771    0.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3756    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3756   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1771   -0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1771   -1.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9281   -0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1771    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4806   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9281    0.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4806    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1147   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7482    0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3817   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0152    0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6487   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0152    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8677    0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6487    0.6198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3817   -0.7700    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 
 13 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 20  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  2  0  0  0  0 
 22 29  1  0  0  0  0 
  5 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
S  SKP  8 
ID	FL1C2ANP0003 
KNApSAcK_ID	C00007145 
NAME	Flemingin F 
CAS_RN	50886-58-3 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c1c2O)C=CC(O1)(C)CCC(O)C(C)=C 
M  END