Mol:FL1DA9NR0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
    2.1585    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1585    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6232    0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6232    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5909    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1265    0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1989    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621   -0.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1989    1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846    1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7681    1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7681    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846    0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2846   -0.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2516    1.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7190   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1755    0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6319   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6319   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1755   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7190   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0880    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3033   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8877   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3033   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6824    1.3613    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 
  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 
 14 18  1  0  0  0  0 
 19 15  1  6  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 21 25  1  0  0  0  0 
 24 26  1  1  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 12 29  1  0  0  0  0 
S  SKP  8 
ID	FL1DA9NR0004 
KNApSAcK_ID	C00008015 
NAME	(+)-Linderatin 
CAS_RN	94530-80-0 
FORMULA	C25H30O4 
EXACTMASS	394.21440944799997 
AVERAGEMASS	394.50329999999997 
SMILES	O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 
M  END