Mol:LBF09000HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
0.8504 -0.1210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4334 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0604 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6476 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2674 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3156 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8986 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4816 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6476 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8504 0.7040 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
3 5 2 0 0 0 0
1 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
1 12 1 4 0 0 0
S SKP 5
ID LBF09000HO02
FORMULA C9H18O3
EXACTMASS 174.125594442
AVERAGEMASS 174.23742
SMILES CCCCCCC(O)CC(O)=O
M END
