Mol:LBF20406HO19
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
-3.8864 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4739 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6489 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6489 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4739 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3967 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3967 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7442 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4578 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1714 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7442 -0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8864 -1.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 1.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 -0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
7 11 2 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
10 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20406HO19
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CCC=CCC=CCC=CCC=CCCCC(O)=O)CCO
M END
