Mol:LBF18207SC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.6877 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2598 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8648 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2598 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1377 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5877 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1798 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8398 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3348 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3798 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8473 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8648 -0.6291 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 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
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 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
S SKP 5
ID LBF18207SC02
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCCC=CC=CCCCCCCCC(O)=O
M END
</pre>
