Mol:LBF22109SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.9655 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5788 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2938 0.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5788 1.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3605 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6840 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0323 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3558 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6270 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6345 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6172 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5870 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9264 -1.3674 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
1 5 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
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
14 13 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
17 23 1 0 0 0 0
24 19 1 0 0 0 0
S SKP 5
ID LBF22109SC02
FORMULA C22H42O2
EXACTMASS 338.318480588
AVERAGEMASS 338.56768000000005
SMILES C(CCC(O)=O)CCCCCCCCC=CCCCCCCCC
M END
