Mol:LBF18203HP02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-2.7775 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3053 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7278 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1531 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5397 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 1.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0251 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1287 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 -1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 -2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7286 1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0650 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7804 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1287 0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1287 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6704 2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5669 0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 3 1 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
7 6 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
7 10 1 0 0 0 0
1 11 1 0 0 0 0
10 12 2 0 0 0 0
12 13 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
17 16 1 4 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 2 0 0 0 0
20 25 1 0 0 0 0
25 17 1 0 0 0 0
S SKP 5
ID LBF18203HP02
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC
M END
