Mol:LBF20406HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6998 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4123 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9189 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2389 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2389 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4123 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
22 23 1 0 0 0 0
5 6 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 4 0 0 0
8 9 1 0 0 0 0
10 9 1 4 0 0 0
3 11 1 0 0 0 0
11 4 1 4 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
10 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
1 17 1 0 0 0 0
2 20 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20406HO01
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC(OO)C=CC=CCC=CCCCC(O)=O)CCC
M END
