Mol:LBF18403SC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.0109 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0641 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4059 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2234 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5634 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9584 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3809 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2241 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8741 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3966 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9741 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4966 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1566 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0641 -0.6153 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 2 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 2 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
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
S SKP 5
ID LBF18403SC02
FORMULA C18H28O2
EXACTMASS 276.20893014
AVERAGEMASS 276.41372
SMILES CCC=CCC=CCCC=CCCC=CCCC(O)=O
M END
</pre>
