Mol:LBF12000BC12
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-1.3285 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8385 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4259 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 0.9333 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 4 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
2 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
12 11 1 4 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC12
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCC(C)CCCCCCCC(O)=O
M END
