Mol:LBF20503HO11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-4.0370 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0370 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.2055 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1811 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4675 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0698 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6097 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3233 0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0370 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7856 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8961 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6106 -1.4417 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 2 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 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
9 14 2 0 0 0 0
14 15 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
13 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
7 23 1 6 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20503HO11
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(CC=CCC(OO)C=CC=CCC=CCCCC(O)=O)=CCC
M END
