Mol:LBF20207PG14
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.4950 0.0000 O 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
3 21 2 0 0 0 0
2 6 1 6 0 0 0
1 7 1 1 0 0 0
6 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 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
15 23 1 1 0 0 0
5 22 1 6 0 0 0
13 24 1 0 0 0 0
13 25 2 0 0 0 0
S SKP 5
ID LBF20207PG14
FORMULA C20H34O5
EXACTMASS 354.240624198
AVERAGEMASS 354.48096000000004
SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)CC
M END
</pre>
