Mol:LBF18109MO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0070 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0555 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1039 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5357 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1039 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 23 1 4 0 0 0
2 6 1 0 0 0 0
3 6 1 4 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
1 12 1 0 0 0 0
2 15 1 4 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
5 16 1 0 0 0 0
9 22 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
5 23 2 0 0 0 0
S SKP 5
ID LBF18109MO01
FORMULA C19H34O4
EXACTMASS 326.24570957599997
AVERAGEMASS 326.47086
SMILES C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O
M END
</pre>
