Mol:LBF12111BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
-1.7592 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7592 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8562 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3859 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9738 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9738 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0320 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6198 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7955 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3834 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4409 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8530 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6773 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0895 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 15 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
S SKP 5
ID LBF12111BC01
FORMULA C13H24O2
EXACTMASS 212.17763001199998
AVERAGEMASS 212.32845999999998
SMILES CCCCCCCCCCC(=C)C(O)=O
M END
