Mol:LBF20406LT12
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 0 0 0 0 0 0999 V2000
8.9282 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7942 4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 6.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4330 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
6.3301 -1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 6.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 7.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -6.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -7.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
4 3 1 0 0 0 0
5 4 1 0 0 0 0
2 21 1 6 0 0 0
1 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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 2 0 0 0 0
14 15 1 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
5 20 1 0 0 0 0
11 22 1 1 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
19 25 1 0 0 0 0
19 26 1 0 0 0 0
19 27 1 0 0 0 0
S SKP 5
ID LBF20406LT12
FORMULA C20H29F3O4
EXACTMASS 390.201794016
AVERAGEMASS 390.4370696
SMILES C(F)(F)(F)CCCCC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O
M END
