Mol:LBF18107EO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-4.2968 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1232 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1716 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4784 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4299 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1174 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0021 2.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6857 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2733 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0358 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7648 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8843 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2968 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1716 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
4 7 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
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
3 22 2 0 0 0 0
S SKP 5
ID LBF18107EO01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES C(C(C=CC(O)CCCCC)1)(CCCCCCCC(O)=O)O1
M END
</pre>
