Mol:LBF11000BC05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-4.6328 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5367 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9274 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5367 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0206 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0206 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0206 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2218 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6328 1.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6328 0.5741 0.0000 O 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
1 6 1 0 0 0 0
2 11 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
5 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
S SKP 5
ID LBF11000BC05
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCCCC(C)CCC(O)=O
M END
