Mol:LBF20306HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.2110 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2110 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0701 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0707 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6724 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2451 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1821 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8957 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 0.4146 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
1 6 2 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
5 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
7 20 1 1 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20306HO05
FORMULA C20H34O3
EXACTMASS 322.25079495399996
AVERAGEMASS 322.48216
SMILES C(CC=CCC=CC=CC(CCCCCCC(O)=O)O)CCC
M END
