Mol:LBF18304HP02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.1492 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8578 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3477 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2601 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4115 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4115 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4115 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3336 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3336 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6191 0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7366 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7366 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3477 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2601 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
23 24 1 0 0 0 0
4 25 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 1 4 0 0 0
2 16 1 0 0 0 0
16 3 1 4 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
19 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 LBF18304HP02
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO
M END
