Mol:LBF20406CV13


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

26 26  0  0  0  0  0  0  0  0999 V2000 
  -0.0269    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7414    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4535    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1655    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9501    0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4350   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9501   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1655   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4510   -1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7364   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0886   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8031   -1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5176   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2296   -1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9416   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6536   -1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2051    1.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3790   -1.4297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6876    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4021    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1165    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8310    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8310    1.4297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5455    0.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2600    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2600   -0.2202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  2  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 7  8  1  0 
 8  4  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
 5 17  2  0 
 8 18  1  6 
 1 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  2  0 
22 24  1  0 
24 25  1  0 
 6 26  1  0 

S SKP 6 ID LBF20406CV13 FORMULA C21H29ClO4 EXACTMASS 380.175437126 AVERAGEMASS 380.90525999999994 SMILES C(C(=O)1)(Cl)=C[C@](CC=CCCCCC)(C(=CC=CCCCC(OC)=O)1)O AUTODRAW FALSE M END