Mol:LBF182nnHP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
-4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0431 -1.4135 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 2 0 0 0 0
8 9 1 0 0 0 0
4 9 1 4 0 0 0
10 7 1 4 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
5 18 1 0 0 0 0
2 19 1 0 0 0 0
18 19 1 0 0 0 0
17 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
10 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 5
ID LBF182nnHP01
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1
M END
