Mol:LBF11000HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
1.7389 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 -0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5729 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1761 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9527 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 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
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 LBF11000HO02
FORMULA C11H22O3
EXACTMASS 202.15689457
AVERAGEMASS 202.29058
SMILES OCCCCCCCCCCC(O)=O
M END
