Mol:LBF20207PG20
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
9.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7768 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 1.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3948 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 2.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 1.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
3 6 1 6 0 0 0
7 8 2 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
9 22 1 1 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 1 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20207PG20
FORMULA C20H36O4
EXACTMASS 340.26135963999997
AVERAGEMASS 340.49744
SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)CC[C@@H](O)1)CC
M END
</pre>
