Mol:LBF18108HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 1 0 0 0 0 0999 V2000
-0.6537 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4802 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8912 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4802 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8972 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9930 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8180 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4680 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8193 2.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0555 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4680 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4680 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0555 2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
2 7 1 4 0 0 0
8 1 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 4 0 0 0
1 11 1 4 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
5 15 1 4 0 0 0
15 16 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
21 20 1 4 0 0 0
12 22 1 4 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 5
ID LBF18108HP03
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1
M END
