Mol:LBF28000SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 0 0 0 0 0 0999 V2000
3.5723 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0036 0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1423 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7177 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8586 0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5750 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2872 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0036 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0036 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2872 -1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9095 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1945 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7665 -1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4815 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1855 -1.3716 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
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
19 20 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
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 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
S SKP 5
ID LBF28000SC01
FORMULA C28H56O2
EXACTMASS 424.428031036
AVERAGEMASS 424.74304
SMILES C(CCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCC
M END
</pre>
