Mol:LBF20406HX02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 -0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6962 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6962 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 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
5 6 1 0 0 0 0
1 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
10 21 1 4 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
12 22 1 1 0 0 0
11 22 1 1 0 0 0
9 23 1 0 0 0 0
9 24 2 0 0 0 0
S SKP 5
ID LBF20406HX02
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CC[C@@H]([C@@H](C(O)C=CCC=CCCCC(O)=O)1)O1)CCC
M END
</pre>
