Mol:LBF20502HP01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-1.9124 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4093 -1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9344 -2.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1485 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 -1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4450 -2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 -2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4450 -0.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9838 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6941 -2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6941 -1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4093 -2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1485 -2.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -3.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 2.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8513 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 3.6952 0.0000 C 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
3 4 1 0 0 0 0
1 5 2 0 0 0 0
4 6 1 4 0 0 0
6 7 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 4 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
8 14 2 0 0 0 0
14 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20502HP01
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)=CCC
M END
</pre>
