Mol:LBF18306SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.2202 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7923 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3973 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7923 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6702 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1202 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1577 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2502 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1798 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6373 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5723 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9848 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3973 -0.6291 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 1 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 2 0 0 0 0
13 14 1 0 0 0 0
15 14 2 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
18 19 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 5
ID LBF18306SC03
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCCC=CC=CC=CCCCCCCC(O)=O
M END
