Mol:FL2F19NP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -1.3904   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3904   -0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8341   -1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2778   -0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2778   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8341    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2785   -1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8348   -0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8348   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2785    0.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3909    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9578   -0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5248    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5248    0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9578    1.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3909    0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2785   -1.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9465    0.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8341    0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3788    1.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9234    0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9679    1.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5248    0.8684    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  0  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 18  1  0  0  0  0 
 22 21  1  0  0  0  0 
 21 23  1  0  0  0  0 
S  SKP  8 
ID	FL2F19NP0001 
KNApSAcK_ID	C00008132 
NAME	(-)-Isolonchocarpin 
CAS_RN	34198-88-4 
FORMULA	C20H18O3 
EXACTMASS	306.12559444199997 
AVERAGEMASS	306.35512 
SMILES	C(C3)(c(c4)cccc4)Oc(c2C(=O)3)c(c(cc2)1)C=CC(C)(C)O1 
M  END