Mol:LBF20506EO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -5.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2942 -5.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 -5.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 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
17 16 1 0 0 0 0
11 12 2 0 0 0 0
18 17 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
17 21 1 1 0 0 0
18 21 1 1 0 0 0
7 22 1 0 0 0 0
7 23 2 0 0 0 0
S SKP 5
ID LBF20506EO01
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(=CCC=CCCCC(O)=O)CC=CCC=CC[C@@H](O1)[C@@H]1CC
M END
