Mol:LBF20406LT04

Copyright: ARM project http://www.metabolome.jp/

26 25  0  0  0  0  0  0  0  0999 V2000 
   2.9057   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6204    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3348   -0.0007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6204    1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1910    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4766   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7646    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0526   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7724   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4869    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1989    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9108    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6228    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3348    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0468    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0468   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3323   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6179   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9034   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1889   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4745   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7600   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7645    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3348    1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3348   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0468    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  1  1 
14 24  1  1 
 3 25  1  0 
 3 26  1  0 

S SKP 6 ID LBF20406LT04 FORMULA C22H37NO3 EXACTMASS 363.27734405499996 AVERAGEMASS 363.53412000000003 SMILES C(=CC[C@@H](O)C=CC=CC=C[C@H](CCCC(N(C)C)=O)O)CCCCC AUTODRAW FALSE M END