Mol:LBF14000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
-2.6915 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7528 1.7848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7528 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 1.7848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4554 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0722 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3097 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2790 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6915 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6915 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
4 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
1 12 1 0 0 0 0
2 18 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
S SKP 5
ID LBF14000BC03
FORMULA C16H32O2
EXACTMASS 256.240230268
AVERAGEMASS 256.42408
SMILES CCCCCCCCC(C)CCCC(C)C(O)=O
M END
