Mol:LBF18304HP01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9426 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6516 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1278 1.7919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1278 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4140 0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 -1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
20 21 1 0 0 0 0
4 5 1 0 0 0 0
5 22 1 0 0 0 0
2 7 1 0 0 0 0
7 3 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
6 13 1 0 0 0 0
10 19 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
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18304HP01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O
M END
</pre>
