Mol:LBF18203HP04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-5.5217 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6074 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3274 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6124 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9974 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2690 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5818 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2383 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5818 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2690 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5490 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0551 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8186 -2.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5501 -0.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5773 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0919 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0447 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6956 2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9974 2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3292 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 1 1 0 0 0 0
4 6 1 4 0 0 0
6 7 1 0 0 0 0
8 7 1 4 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
4 10 1 0 0 0 0
8 11 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
11 16 1 0 0 0 0
16 17 1 0 0 0 0
11 18 1 4 0 0 0
12 24 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
22 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 2 0 0 0 0
S SKP 5
ID LBF18203HP04
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC
M END
