Mol:LBF11000BC11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-3.3357 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 1.6015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2600 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9247 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 -2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 4 1 4 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
2 14 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
S SKP 5
ID LBF11000BC11
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCCCCC(C)CC(O)=O
M END
