Mol:FL1DA9NR0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
    2.1585    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1585    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6232    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6232    1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5909    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1265    0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1989    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621   -0.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1989    0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846    1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7681    0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7681    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846    0.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846   -0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7190   -0.2842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1755   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6319   -0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6319   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1755   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7190   -0.8113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.0880   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3033   -1.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8877   -0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3033   -1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6824    1.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1254    1.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6254    2.3972    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 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  7  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 18 15  1  6  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 18  1  0  0  0  0 
 20 24  1  0  0  0  0 
 23 25  1  1  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 12 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31   -1.1254    1.5312 
S  SKP  8 
ID	FL1DA9NR0005 
KNApSAcK_ID	C00008016 
NAME	Methyllinderatin 
CAS_RN	120948-03-0 
FORMULA	C26H32O4 
EXACTMASS	408.23005951199997 
AVERAGEMASS	408.52987999999993 
SMILES	c(c(O)1)([C@H]([C@H]3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)CCc(c2)cccc2)1)OC 
M  END