Mol:LBF18108HO06
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.2535 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0797 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3609 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2637 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 2.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0797 2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2298 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9923 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8410 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2637 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
2 7 2 0 0 0 0
1 8 1 0 0 0 0
2 11 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
5 12 1 0 0 0 0
12 13 1 0 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18108HO06
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O
M END
</pre>
