Mol:LBF18000HO13
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
3.7850 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3680 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9950 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5822 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0005 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2020 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4530 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8700 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2960 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6549 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2383 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -0.3178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4050 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2019 0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7853 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5822 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -1.1428 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
16 21 1 4 0 0 0
S SKP 5
ID LBF18000HO13
FORMULA C18H36O3
EXACTMASS 300.266445018
AVERAGEMASS 300.47664
SMILES CCCCC(O)CCCCCCCCCCCCC(O)=O
M END
</pre>
