Mol:LBF20406HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 1 0 0 0 0 0999 V2000
-3.3890 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8656 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7731 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9489 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5367 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4341 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7203 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1526 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5647 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3890 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23 3 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
1 7 1 0 0 0 0
2 10 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
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
3 14 1 0 0 0 0
14 4 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
11 20 1 0 0 0 0
17 22 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
6 26 2 0 0 0 0
S SKP 5
ID LBF20406HO05
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC
M END
