Mol:LBF18203HP02

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

25 25  0  0  0  0  0  0  0  0999 V2000 
   3.2183   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5038    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7893   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0773   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3654   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3466   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0586   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7344    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3933   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1247   -1.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2998   -1.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9328    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6472   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3617    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0762   -0.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7907    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3617    0.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1078   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8223   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5367   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3617   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0762   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.7907   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1078    0.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3933    1.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  2  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11  7  1  0 
 1 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
14 17  2  0 
 9 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  2  0 
21 22  1  0 
22 23  1  0 
18 24  1  0 
24 25  1  0

S SKP 6 ID LBF18203HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC AUTODRAW FALSE M END

Mol:LBF18203HP02

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