Mol:LBF08000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
0.4601 0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4601 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7688 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2356 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4106 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2393 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3564 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 8 1 0 0 0 0
4 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
1 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
S SKP 5
ID LBF08000BC03
FORMULA C9H18O2
EXACTMASS 158.13067981999998
AVERAGEMASS 158.23802
SMILES CCCCCCC(C)C(O)=O
M END
