Mol:LBF18206SC05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.5640 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1360 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7410 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1360 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0140 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4640 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8965 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1210 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6435 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1385 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1735 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6685 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1910 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7410 -0.6566 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 1 0 0 0 0
15 14 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
19 20 1 0 0 0 0
S SKP 5
ID LBF18206SC05
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCC=CCCCCCCCC(O)=O
M END
</pre>
