Mol:LBF18203HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-2.7455 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0001 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2455 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3198 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7455 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7455 2.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3198 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 4 0 0 0
5 4 1 4 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
3 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 4 0 0 0
10 9 1 4 0 0 0
8 11 1 0 0 0 0
11 12 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
17 18 1 0 0 0 0
19 18 1 4 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 2 0 0 0 0
13 25 1 0 0 0 0
25 10 2 0 0 0 0
S SKP 5
ID LBF18203HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC
M END
