Mol:LBF18304HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.1464 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 1.3986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3315 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 2.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5513 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5513 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 2.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
24 25 1 0 0 0 0
2 6 1 0 0 0 0
6 23 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
13 3 1 4 0 0 0
4 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
5 16 1 0 0 0 0
9 22 1 0 0 0 0
16 17 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
5 25 2 0 0 0 0
S SKP 5
ID LBF18304HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO
M END
