Mol:LBF30109SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 31 0 0 0 0 0 0 0 0999 V2000
2.6359 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2491 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 0.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2491 2.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0309 1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3544 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 1.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0261 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6284 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9566 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6331 0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 1.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3083 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6758 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0171 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9553 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6139 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2436 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8995 -0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0990 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8995 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3509 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6909 -1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0941 -2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 -1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 -0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1894 -0.0069 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
1 5 1 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
8 9 1 0 0 0 0
9 10 1 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
13 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
18 17 1 0 0 0 0
18 19 1 0 0 0 0
14 15 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 1 0 0 0 0
26 23 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
20 32 2 0 0 0 0
S SKP 5
ID LBF30109SC01
FORMULA C30H58O2
EXACTMASS 450.44368110000005
AVERAGEMASS 450.78032
SMILES CCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(O)=O
M END
</pre>
