Mol:LBF19117SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
4.9706 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5839 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2989 -0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5839 0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4581 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8064 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1436 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0244 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6940 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0140 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6616 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3312 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9816 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 -0.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6512 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2989 -0.0364 0.0000 C 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
2 4 2 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
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
1 19 2 0 0 0 0
5 19 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 5
ID LBF19117SC01
FORMULA C19H36O2
EXACTMASS 296.271530396
AVERAGEMASS 296.48794000000004
SMILES CCCCCCCCCCCCCCCCC=CC(O)=O
M END
</pre>
