Mol:LBF18106HO03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.2532 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4005 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4153 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6966 2.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4153 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8407 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6421 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9922 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
5 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 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
2 22 2 0 0 0 0
S SKP 5
ID LBF18106HO03
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC=CCC(=O)C(O)CCCCCCCC(O)=O
M END
</pre>
