Mol:LBF10105BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
-0.1418 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9455 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5177 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9731 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 -0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1481 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9731 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5195 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7319 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 18 1 0 0 0 0
1 3 1 0 0 0 0
2 4 1 0 0 0 0
3 5 1 0 0 0 0
4 6 1 0 0 0 0
5 7 1 0 0 0 0
8 6 1 0 0 0 0
7 9 1 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
1 15 1 0 0 0 0
12 17 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 2 0 0 0 0
S SKP 5
ID LBF10105BC01
FORMULA C16H30O2
EXACTMASS 254.22458020399998
AVERAGEMASS 254.4082
SMILES CC(C)CCC=C(CCCC(O)=O)CCC(C)C
M END
