Mol:LBF13000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
3.6197 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3347 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 0.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0064 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3189 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6576 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9893 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3293 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3417 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0044 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6727 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3327 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0037 -0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6664 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3347 -0.1829 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
14 15 1 0 0 0 0
S SKP 5
ID LBF13000SC01
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCCCCCC(O)=O
M END
