Mol:LBF14000BC07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
-3.9676 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4699 2.4920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4699 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9676 3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9676 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3510 2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
2 8 1 0 0 0 0
7 8 1 0 0 0 0
2 9 1 0 0 0 0
4 17 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
S SKP 5
ID LBF14000BC07
FORMULA C15H30O2
EXACTMASS 242.22458020399998
AVERAGEMASS 242.3975
SMILES CCCC(C)CCCCCCCCCC(O)=O
M END
