Mol:LBPR02010014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 0 0 0 0 0 0999 V2000
-2.4756 -0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 1.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 -1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5732 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2877 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1892 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
3 7 1 0 0 0 0
8 6 1 0 0 0 0
7 9 2 0 0 0 0
4 10 2 0 0 0 0
5 11 1 0 0 0 0
12 13 1 0 0 0 0
12 3 1 0 0 0 0
14 1 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
11 15 1 0 0 0 0
S SKP 5
ID LBPR02010014
FORMULA C14H18O6
EXACTMASS 282.110338308
AVERAGEMASS 282.28912
SMILES COc(c(=O)1)c(OC)c(=O)c(CCC(C)C(O)=O)c(C)1
M END
