Mol:LBF12203JA01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
-2.2536 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 -0.8401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1742 -0.0564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8425 0.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4592 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2558 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0808 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7958 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7136 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 -1.2526 0.0000 O 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 6 1 6 0 0 0
3 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
2 12 1 1 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12203JA01
FORMULA C12H20O3
EXACTMASS 212.141244506
AVERAGEMASS 212.28539999999998
SMILES CCC=CCC(C(O)1)C(CC1)CC(O)=O
M END
