Mol:LBF20109HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-7.1447 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6803 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8897 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2710 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7928 -0.1822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0366 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8014 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
7 23 1 4 0 0 0
S SKP 5
ID LBF20109HO01
FORMULA C20H38O3
EXACTMASS 326.28209508199996
AVERAGEMASS 326.51392
SMILES C(CCC(CC=CCCCCCCCCCC(O)=O)O)CCC
M END
