Mol:LBF18306HO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
-0.6616 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1222 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7811 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6390 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3535 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0680 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7824 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4969 -0.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7824 0.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1978 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6141 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3016 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8791 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5666 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1991 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9135 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4969 -0.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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
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
10 12 2 0 0 0 0
1 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 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
S SKP 5
ID LBF18306HO01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES OCCCCC=CC=CC=CCCCCCCCC(O)=O
M END
</pre>
