Mol:LBF18110HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 1 0 0 0 0 0999 V2000
-1.2410 1.0648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3417 1.0511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3334 0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9907 1.0717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7226 1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9023 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5774 1.0827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3354 0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 0.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4849 1.0827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.5299 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1349 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4849 1.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7224 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1349 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1349 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7224 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3282 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7407 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3282 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7407 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3282 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7407 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 1.0717 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 4 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
2 6 1 0 0 0 0
4 27 1 0 0 0 0
1 8 1 4 0 0 0
9 8 1 4 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
1 11 1 0 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 15 1 4 0 0 0
15 16 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
7 21 1 0 0 0 0
17 26 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
7 27 2 0 0 0 0
S SKP 5
ID LBF18110HP01
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(O1)(C(CC)OO)CC(C(O2)CC(C=CCCCCCCC(=O)OC)O2)O1
M END
