Mol:LBF18205HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-4.1939 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0558 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5719 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 1.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8699 1.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8699 2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1663 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1005 2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2380 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1005 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 -1.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4030 -2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0565 2.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2885 2.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9155 -1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 -2.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 -0.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7505 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 1.9496 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 0 0 0 0
4 5 1 4 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 2 0 0 0 0
4 9 1 0 0 0 0
7 10 1 4 0 0 0
11 10 1 4 0 0 0
11 12 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
18 17 1 4 0 0 0
3 19 1 4 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 12 1 0 0 0 0
S SKP 5
ID LBF18205HP01
FORMULA C19H34O6
EXACTMASS 358.23553882
AVERAGEMASS 358.46966000000003
SMILES COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
M END
