Mol:LBF18109HO05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.3841 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.2007 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2200 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7606 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9716 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 2.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8230 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8230 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8230 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7439 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3315 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5065 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0940 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 23 1 0 0 0 0
2 6 1 4 0 0 0
3 7 1 4 0 0 0
4 8 1 4 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
5 12 1 0 0 0 0
9 18 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
1 19 1 0 0 0 0
2 22 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
5 23 2 0 0 0 0
S SKP 5
ID LBF18109HO05
FORMULA C18H34O5
EXACTMASS 330.240624198
AVERAGEMASS 330.45956
SMILES CCCCCC(O)C(O)C(O)C=CCCCCCCCC(O)=O
M END
