Mol:FLIBALNP0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.6958    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6958   -0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1395   -0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5832   -0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5832    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1395    0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0269   -0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5294   -0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5294    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0269    0.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0855   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0855   -1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6802   -1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2750   -1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2750   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6802   -0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0269   -1.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4913   -1.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1395   -1.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8698   -1.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1395    1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6958    1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2522    1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2522    0.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6194    1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8698    0.9950    0.0000 C   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 
  4  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  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  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 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
 12 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 14  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24  1  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
S  SKP  8 
ID	FLIBALNP0002 
KNApSAcK_ID	C00009558 
NAME	Cyclokievitone 
CAS_RN	74175-82-9 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c13)(OCC(c(c4)c(O)cc(O)c4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O 
M  END