Mol:LBF12000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
3.2856 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0006 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2856 0.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9848 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3234 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6552 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0068 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3378 -0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0006 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 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
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 LBF12000SC01
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCCCCCCCC(O)=O
M END
