Mol:LBF18107OX02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.0140 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 2.1416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4222 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4465 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4465 2.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2963 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4720 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0598 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6018 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 2.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7914 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7914 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7914 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7914 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
2 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
4 14 1 0 0 0 0
11 21 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18107OX02
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O
M END
