Mol:LBF20306HX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 0 0 0 0 0 0999 V2000
7.1962 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 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
1 21 1 4 0 0 0
1 2 1 0 0 0 0
1 9 1 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
9 10 2 0 0 0 0
15 14 2 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
15 16 1 0 0 0 0
12 22 1 1 0 0 0
11 23 1 6 0 0 0
8 24 1 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF20306HX01
FORMULA C20H34O5
EXACTMASS 354.240624198
AVERAGEMASS 354.48096000000004
SMILES OC(CC=CCCCC(O)=O)C=C[C@@H](O)[C@@H](O)CC=CCCCCC
M END
</pre>
