Mol:LBF11000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
2.9542 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6692 -0.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9542 0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3409 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9921 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 -0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0072 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6699 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3382 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9982 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6692 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 1 0 0 0 0
4 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
S SKP 5
ID LBF11000SC01
FORMULA C11H22O2
EXACTMASS 186.16197994799998
AVERAGEMASS 186.29118
SMILES CCCCCCCCCCC(O)=O
M END
