Mol:LBF27000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 28 0 0 0 0 0 0 0 0999 V2000
3.5723 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0036 0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1423 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7177 0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 0.1327 0.0000 C 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
-3.5750 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2872 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0036 0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0036 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2872 -1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9095 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1945 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7665 -1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4815 -0.9508 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
S SKP 5
ID LBF27000SC01
FORMULA C27H54O2
EXACTMASS 410.412380972
AVERAGEMASS 410.71646000000004
SMILES C(CCC)CCCCCCCCCCCCCCCCCCCCCCC(O)=O
M END
