Mol:LBF12000BC14
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-2.4817 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 2.1079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5625 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8505 3.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0706 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 2.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
2 13 1 4 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
2 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF12000BC14
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCCC(CC)C(O)=O
M END
