Mol:FL2FA9NM0014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.4791   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4791    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6045   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6045    0.1195    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0836    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582    1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -1.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8363    0.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3363    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1935   -0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8217   -1.1479    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 
  5 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  CH2OH 
M  SVB   3 25   -2.1935   -0.3699 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.8363    0.7382 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.4125   -0.9329 
S  SKP  8 
ID	FL2FA9NM0014 
KNApSAcK_ID	C00008483 
NAME	5-O-Methylleridol 
CAS_RN	143084-67-7 
FORMULA	C19H20O5 
EXACTMASS	328.13107375 
AVERAGEMASS	328.3591 
SMILES	O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC 
M  END