Mol:LBF11109BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-0.7418 0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0913 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2028 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7903 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6309 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1941 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6066 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
14 2 1 0 0 0 0
1 5 1 4 0 0 0
3 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
4 13 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
3 14 2 0 0 0 0
S SKP 5
ID LBF11109BC01
FORMULA C12H22O2
EXACTMASS 198.16197994799998
AVERAGEMASS 198.30187999999998
SMILES CCCCCCC(C)CC=CC(O)=O
M END
