Mol:LBF20306HO04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2663 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2663 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9813 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.4111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1254 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0141 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2677 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9813 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 2 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 2 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
9 14 2 0 0 0 0
14 15 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
7 20 1 6 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20306HO04
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC
M END
</pre>
