Mol:LBF16402SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.6011 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1594 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1594 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3911 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8136 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5486 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0289 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5789 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7339 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3939 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9439 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5214 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0714 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6544 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
S SKP 5
ID LBF16402SC01
FORMULA C16H24O2
EXACTMASS 248.17763001199998
AVERAGEMASS 248.36056
SMILES CC=CCC=CCC=CCCC=CCCC(O)=O
M END
