Mol:LBF18302HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.3104 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2839 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8961 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -3.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9756 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9756 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4987 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
3 24 1 0 0 0 0
4 25 1 0 0 0 0
6 7 1 4 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
13 5 1 4 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 3 1 4 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
16 12 1 0 0 0 0
S SKP 5
ID LBF18302HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC
M END
