Mol:LBF18108HO04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.3844 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1909 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2008 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3844 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3844 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7442 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3317 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1909 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 23 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
3 8 1 4 0 0 0
5 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 1 4 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
1 19 1 0 0 0 0
2 22 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
4 23 2 0 0 0 0
S SKP 5
ID LBF18108HO04
FORMULA C18H34O5
EXACTMASS 330.240624198
AVERAGEMASS 330.45956
SMILES CCCCCC(O)C(O)C=CC(O)CCCCCCCC(O)=O
M END
