Mol:LBF18000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.8067 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5214 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5214 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9178 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9178 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3942 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6521 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 14 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 2 0 0 0 0
15 17 1 0 0 0 0
4 18 1 0 0 0 0
15 19 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
2 22 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF18000BC04
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(CC(CCCCCCCCCC(CCC(O)=O)C)C)CC
M END
