Mol:LBF20406LT01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5622 -3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5622 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 7.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 -6.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 -7.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
5 4 1 0 0 0 0
5 6 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
1 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 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
19 20 1 0 0 0 0
6 7 1 0 0 0 0
6 21 1 1 0 0 0
5 21 1 1 0 0 0
10 22 1 0 0 0 0
10 23 2 0 0 0 0
S SKP 5
ID LBF20406LT01
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CC=CCC=CC=CC=C[C@@H](O1)[C@@H]1CCCC(O)=O)CCC
M END
