Mol:LBF36000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 37 0 0 0 0 0 0 0 0999 V2000
5.0009 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4322 0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5709 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8559 0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1395 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8586 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5750 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2872 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0036 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7159 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4322 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4322 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6760 -1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9610 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2584 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5681 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8655 -1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6119 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0034 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3976 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1003 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7891 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4917 -1.2189 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
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
S SKP 5
ID LBF36000SC01
FORMULA C36H72O2
EXACTMASS 536.553231548
AVERAGEMASS 536.95568
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCC
M END
