Mol:LBF18203HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
7 6 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
10 13 1 4 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
3 24 2 0 0 0 0
4 25 2 0 0 0 0
S SKP 5
ID LBF18203HP01
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC
M END
