Mol:LBF18206HP01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.1522 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 1.7485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8757 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2272 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
2 8 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
4 12 1 4 0 0 0
9 18 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
4 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18206HP01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC=CC=CC(OO)CCCCCCCC(O)=O
M END
</pre>
