Mol:LBF10000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
0.0934 0.7144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0934 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1355 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1355 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0731 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3394 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4022 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4022 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 10 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
1 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
S SKP 5
ID LBF10000BC01
FORMULA C11H22O2
EXACTMASS 186.16197994799998
AVERAGEMASS 186.29118
SMILES CCCCCCCCC(C)C(O)=O
M END
