Mol:LBF18108HO03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.3696 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5608 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5608 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7876 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3751 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9571 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3696 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3696 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
2 7 1 4 0 0 0
5 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
14 13 1 4 0 0 0
1 15 1 0 0 0 0
2 18 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
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18108HO03
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O
M END
