Mol:LBF13000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-0.9116 -1.0680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5526 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9116 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4614 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6369 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2258 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5963 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0074 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2406 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4738 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0504 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 4 0 0 0
5 2 1 0 0 0 0
1 6 1 0 0 0 0
4 13 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
5 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF13000BC04
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCC(C)CCC(O)=O
M END
