Mol:LBF18000BC07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.6238 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7043 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7043 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7349 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7349 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6238 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6238 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0879 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9129 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -3.2151 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
3 4 1 4 0 0 0
5 6 1 4 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
5 10 1 0 0 0 0
7 13 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
3 14 1 0 0 0 0
5 22 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
S SKP 5
ID LBF18000BC07
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(C(CCCCCCCCCC(CCCCC(O)=O)C)C)C
M END
