Mol:LBF21307PG12
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
7.8959 -0.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5869 -1.1918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3959 -1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8959 -0.2408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6359 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4280 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3082 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7149 1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1271 2.2908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5338 3.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9461 4.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3528 4.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7650 5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -3.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -5.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -5.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1718 6.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -2.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 2.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4837 0.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -6.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -4.6932 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
1 5 1 0 0 0 0
3 22 2 0 0 0 0
2 6 1 6 0 0 0
6 7 1 0 0 0 0
1 8 1 1 0 0 0
8 9 2 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
10 23 1 6 0 0 0
7 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
5 24 1 6 0 0 0
14 20 1 0 0 0 0
19 25 1 0 0 0 0
19 26 2 0 0 0 0
25 21 1 0 0 0 0
S SKP 5
ID LBF21307PG12
FORMULA C21H34O5
EXACTMASS 366.240624198
AVERAGEMASS 366.49166
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@@H](CC1=O)O)CC
M END
</pre>
