Mol:FL2FALNP0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -0.1855   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3354   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8563   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8563    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3354    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1855    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3772   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8981   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8981    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3772    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4184    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3772   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9528    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4872    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4872    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9528    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4184    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0116    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7064    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2272    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2272   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7064   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7587    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7848   -0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3421    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8994   -0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4555    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0116   -0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4555    0.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3354   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8850    1.3640    0.0000 O   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 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
 15 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  1  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
  2 30  1  0  0  0  0 
 17 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNP0012 
KNApSAcK_ID	C00008428 
NAME	Kuwanol C 
CAS_RN	123702-94-3 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	C(c13)(=O)CC(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C 
M  END