Mol:LBF20303SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.5227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0948 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0948 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4227 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9277 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7673 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6473 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1423 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9673 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4073 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8748 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 -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 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
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20303SC01
FORMULA C20H34O2
EXACTMASS 306.255880332
AVERAGEMASS 306.48276000000004
SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)=CCC
M END
