Mol:LBF11000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-3.7570 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3392 1.6421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8033 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3392 2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3459 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 2.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 -1.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 -2.6298 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 LBF11000BC04
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCCCCC(C)CC(O)=O
M END
