Mol:LBF18109OX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.2532 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1280 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4092 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6878 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1280 2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8407 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 2.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6421 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9922 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6878 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 22 1 0 0 0 0
2 6 1 4 0 0 0
3 7 2 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 1 0 0 0 0
11 12 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
1 18 1 0 0 0 0
2 21 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18109OX01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(O)C(=O)CC=CCCCCCCCC(O)=O
M END
