Mol:LBF20503HO12
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.5846 0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.5155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6188 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 0.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0115 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 -1.7382 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 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 2 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
7 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
11 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
14 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
11 23 1 6 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20503HO12
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(=CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC
M END
