Mol:LBF09103BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
0.7560 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7592 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0898 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6680 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8430 1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4306 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2118 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 1.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6994 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1160 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
4 12 1 0 0 0 0
4 5 1 0 0 0 0
1 6 1 0 0 0 0
3 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
3 12 2 0 0 0 0
12 13 1 0 0 0 0
S SKP 5
ID LBF09103BC01
FORMULA C11H20O2
EXACTMASS 184.14632988399998
AVERAGEMASS 184.2753
SMILES CCC(C)=CCCCC(C)C(O)=O
M END
