Mol:057b FLIF

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -2.1617    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1617    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7328    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7328    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0183   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0183    1.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4102   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4102   -1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1741   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9380   -1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9380   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1741    0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0183   -1.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8762    1.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7012   -1.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473    2.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1615    2.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1741   -2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4106    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1718    0.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8886   -2.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7012   -2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961    1.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961   -0.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8762    2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2887    2.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7012    2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1086   -1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  8 11  1  0 
 11 12  1  0 
 12 13  2  0 
 13 14  1  0 
 14 15  2  0 
 15 16  1  0 
 16 11  2  0 
  1  2  2  0 
  7 17  2  0 
  1 18  1  0 
 14 19  1  0 
  6 20  1  0 
 20 21  2  0 
 13 22  1  0 
  9 23  1  0 
 23 24  1  0 
 24 16  1  0 
 22 25  1  0 
 19 26  1  0 
  9 27  1  1 
  8 28  1  6 
 18 29  1  0 
 21 29  1  0 
 29 30  1  0 
 29 31  1  0 
 28 32  1  0 
S  SKP  5 
ID	057bFLIF 
FORMULA	C24H24O7 
EXACTMASS	424.152203122 
AVERAGEMASS	424.44316000000003 
SMILES	C(C(OC)14)([H])(COc(c5)c4cc(OC)c(OC)5)Oc(c32)c(ccc(OC(C)(C)C=C3)2)C1=O 
M  END