Mol:LBF19000HO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
3.9168 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4998 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1268 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7140 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1323 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7509 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1678 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0018 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4189 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7747 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1064 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8382 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5532 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1307 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7140 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4848 -1.0875 0.0000 O 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 1 0 0 0 0
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 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
11 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
17 18 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
2 22 1 4 0 0 0
S SKP 5
ID LBF19000HO01
FORMULA C19H38O3
EXACTMASS 314.28209508199996
AVERAGEMASS 314.50322
SMILES CCCCCCCCCCCCCCCCCC(O)C(O)=O
M END
</pre>
