Mol:LBF20109SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.3234 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9366 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6516 0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9366 1.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7184 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3901 0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7136 0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0591 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6174 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2691 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2766 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6516 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6516 -0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 -1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2766 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6208 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9883 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3296 -1.3001 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
13 14 2 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
20 21 1 0 0 0 0
22 21 1 0 0 0 0
S SKP 5
ID LBF20109SC02
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CCCCC=CCCCCCCCCCC(O)=O)CCC
M END
