Mol:LBF22308SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.9352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1123 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3852 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3402 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4327 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0577 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8498 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7298 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4623 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8748 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1123 -0.6291 0.0000 C 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
2 4 2 0 0 0 0
1 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 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22308SC01
FORMULA C22H38O2
EXACTMASS 334.28718046
AVERAGEMASS 334.53592000000003
SMILES C(CCC(O)=O)CCCC=CCC=CCC=CCCCCCCC
M END
</pre>
