Mol:FL2FA9NM0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.4791   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4791    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6045   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6045    0.1385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0836    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582    1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1935   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8216   -1.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8363    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3362    1.6234    0.0000 C   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 
  2 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  CH2OH 
M  SVB   2 22   -2.1935   -0.3509 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.8363    0.7573 
S  SKP  8 
ID	FL2FA9NM0013 
KNApSAcK_ID	C00008482 
NAME	Leridol 
CAS_RN	143084-66-6 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)O 
M  END