Mol:LBF18304HP04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5844 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 1.0562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.5549 0.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 -0.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5844 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
23 24 1 0 0 0 0
4 5 1 0 0 0 0
7 5 1 4 0 0 0
25 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 10 1 0 0 0 0
10 3 1 4 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
6 17 1 0 0 0 0
13 22 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
3 23 2 0 0 0 0
4 24 2 0 0 0 0
6 25 2 0 0 0 0
S SKP 5
ID LBF18304HP04
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES COC(=O)CCCCCCC=CC(OO)CC=CC=CC(CC)OO
M END
