Mol:FL6F1CNI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 36  0  0  0  0  0  0  0  0999 V2000 
   -2.1990    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1990   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6427   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0864   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0864    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6427    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5301   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0262   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0262    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5301    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5823    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1492    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7162    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7162    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1492    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5823    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7551    0.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2832    1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1492    1.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2830    0.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2830   -0.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8486   -0.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8486   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4131   -0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7551   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3100   -0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7551   -1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4131   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2587   -1.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1492   -0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5441   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5718   -1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1332   -1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0002   -1.9498    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 
  9 11  1  6  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 
  1 17  1  0  0  0  0 
 18 14  1  0  0  0  0 
 15 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
 27 29  2  0  0  0  0 
 12 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  1  0  0  0  0 
S  SKP  8 
ID	FL6F1CNI0002 
KNApSAcK_ID	C00008789 
NAME	Kazinol E 
CAS_RN	104494-34-0 
FORMULA	C30H38O4 
EXACTMASS	462.27700970399997 
AVERAGEMASS	462.62032 
SMILES	C(=CCc(c(O)3)c(c(cc3O)C(O2)CCc(c12)cc(C(C)(C)C=C)c(c1)O)CC=C(C)C)(C)C 
M  END