Mol:LBF15111BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
0.1968 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1381 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3224 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6675 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2107 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8611 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2107 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8060 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3935 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5685 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1561 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6689 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0814 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9063 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3188 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4486 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 -1.7861 0.0000 O 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
4 1 2 0 0 0 0
5 6 1 0 0 0 0
7 5 1 0 0 0 0
4 8 1 0 0 0 0
5 15 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
3 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
S SKP 5
ID LBF15111BC01
FORMULA C16H30O2
EXACTMASS 254.22458020399998
AVERAGEMASS 254.4082
SMILES CC(C)CCCCCCCCC=CCCC(O)=O
M END
