Mol:LBF09107SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
1.5895 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9177 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2454 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3245 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9177 -0.5892 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
1 8 2 0 0 0 0
8 9 1 0 0 0 0
10 5 1 0 0 0 0
9 10 1 0 0 0 0
11 7 1 0 0 0 0
S SKP 5
ID LBF09107SC01
FORMULA C9H16O2
EXACTMASS 156.11502975599998
AVERAGEMASS 156.22214
SMILES CCCCCCC=CC(O)=O
M END
