Mol:LBF20306HX04


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

24 24  0  0  0  0  0  0  0  0999 V2000 
   2.5787    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2934    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0079    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2934    1.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8641    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1497    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4353    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3897    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1042    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8186    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6436    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5892   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3039   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0183   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8746   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1602   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4458   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3792   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0937   -0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8081   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6331   -0.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1962   -0.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0183   -0.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2206   -1.5209    0.0000 O   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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
12 13  1  0 
13 14  1  0 
12 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
11 22  1  0 
22 21  1  0 
22 23  1  0 
21 24  1  6 
20 24  1  6 

S SKP 6 ID LBF20406HX02 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CC[C@@H]([C@@H](C(O)C=CCC=CCCCC(O)=O)1)O1)CCC AUTODRAW FALSE M END