Mol:LBF20406HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.3875 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7088 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3883 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9754 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8488 0.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8488 -0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1693 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9328 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5207 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
24 12 1 0 0 0 0
9 13 1 0 0 0 0
12 13 1 0 0 0 0
7 14 1 0 0 0 0
14 8 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
1 17 1 0 0 0 0
2 20 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
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
8 24 2 0 0 0 0
S SKP 5
ID LBF20406HO03
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC
M END
