Mol:LBF20406HO22
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
7.1962 0.5000 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
6.3301 -1.0000 0.0000 C 0 0 0 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
5.4641 -2.5000 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
4.5981 -4.0000 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
3.7321 -5.5000 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
2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 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
8.9282 3.5000 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
9.7942 5.0000 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
10.6603 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.5000 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 6 2 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 1 0 0 0 0
1 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 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
4 21 1 6 0 0 0
11 22 1 0 0 0 0
11 23 2 0 0 0 0
S SKP 5
ID LBF20406HO22
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CC=CCC=CC=C[C@H](CC=CCCCC(O)=O)O)CCC
M END
</pre>
