Mol:LBF18303HP06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9492 1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6631 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 23 1 0 0 0 0
3 24 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
11 5 1 4 0 0 0
25 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
4 14 1 0 0 0 0
14 5 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
6 17 1 0 0 0 0
7 22 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 2 0 0 0 0
4 24 2 0 0 0 0
6 25 2 0 0 0 0
S SKP 5
ID LBF18303HP06
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC
M END
