Mol:LBF21304HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
-3.6772 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1808 -0.8986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4025 -0.6291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4191 0.1945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2028 0.4339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.6820 -1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9780 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9780 0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6820 0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4589 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1739 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6039 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0278 0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0333 -0.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2520 0.5851 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4630 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1780 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3188 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3188 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0333 -0.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0333 -1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2520 1.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4624 1.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 4 0 0 0
3 6 1 4 0 0 0
6 7 1 0 0 0 0
8 9 2 0 0 0 0
4 9 1 4 0 0 0
7 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
5 15 1 0 0 0 0
2 16 1 0 0 0 0
15 16 1 0 0 0 0
17 8 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 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
17 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 5
ID LBF21304HP01
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(C2CCCCCCCC(=O)OC)(O1)CC(C2C=CC(CC)OO)O1
M END
