Mol:LBF18108HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.0376 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8915 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 2.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8915 2.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
2 6 2 0 0 0 0
4 7 1 0 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 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
1 17 1 0 0 0 0
2 21 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
20 21 1 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18108HO05
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCCC(=O)C=CC(O)CCCCCCCC(O)=O
M END
