Mol:LBF20207EO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 1 0 0 0 0 0999 V2000
-3.3774 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8907 -1.3227 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1069 -1.0683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1082 -0.2461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.8893 0.0069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.3946 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7143 0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7157 -1.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7278 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0128 0.2406 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7022 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1322 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8472 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5622 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8576 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0128 1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7017 1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 -0.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 4 0 0 0
3 6 1 4 0 0 0
6 7 1 0 0 0 0
5 8 1 0 0 0 0
2 9 1 0 0 0 0
8 9 1 0 0 0 0
4 10 1 4 0 0 0
10 11 2 0 0 0 0
12 11 1 4 0 0 0
12 13 1 0 0 0 0
13 14 1 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
7 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
S SKP 5
ID LBF20207EO01
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CCC(OO)C=CC(C21)C(CC=CCCCC(O)=O)C(OO2)C1)CC
M END
