Mol:LBF11000BC09
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-3.1698 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8635 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1605 1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1605 2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3087 1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3087 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3087 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7574 1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1698 1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1698 0.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 4 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 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
11 10 1 4 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
S SKP 5
ID LBF11000BC09
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCC(C)CCCCCCCC(O)=O
M END
