Mol:LBF20111SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
4.7589 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3721 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0871 -0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3721 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1539 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5214 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8696 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9364 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9786 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6111 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1735 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7689 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3326 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9266 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4917 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0871 -0.1093 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 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
21 22 1 0 0 0 0
S SKP 5
ID LBF20111SC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CCCCCCC=CCCCCCCCC(O)=O)CCC
M END
</pre>
