Mol:LBF18106HO02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.3553 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5315 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5464 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5464 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7733 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3609 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5358 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1233 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9428 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 1.7745 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
5 6 1 4 0 0 0
4 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
2 22 2 0 0 0 0
S SKP 5
ID LBF18106HO02
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC=CCC(O)C(O)CCCCCCCC(O)=O
M END
</pre>
