Mol:LBF18206EO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.2380 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6561 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6085 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7152 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8219 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8086 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1953 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8210 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8210 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8210 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8256 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2380 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2380 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8256 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 1.4434 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 21 1 0 0 0 0
6 7 1 0 0 0 0
22 7 1 4 0 0 0
3 9 1 4 0 0 0
4 9 1 4 0 0 0
8 10 1 0 0 0 0
10 11 1 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 1 0 0 0 0
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 2 0 0 0 0
8 22 2 0 0 0 0
S SKP 5
ID LBF18206EO01
FORMULA C19H32O3
EXACTMASS 308.23514489
AVERAGEMASS 308.45558
SMILES C(CC=CCC=CCCCCCCCC(=O)OC)(O1)C(CC)1
M END
</pre>
