Mol:LBF18207HO04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.7188 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4869 1.3736 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5354 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.3736 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4869 2.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 2.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8411 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3063 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -2.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5354 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 21 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 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
12 13 2 0 0 0 0
12 14 1 0 0 0 0
5 15 1 0 0 0 0
12 20 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
3 21 2 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18207HO04
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(O)C=CC=CC(O)CCCCCCC(O)=O
M END
</pre>
