Mol:LBF20207HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.5289 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.4121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 0.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3720 -1.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0405 -1.8415 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
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 7 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 2 0 0 0 0
20 22 1 0 0 0 0
10 23 1 6 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20207HP01
FORMULA C20H36O4
EXACTMASS 340.26135963999997
AVERAGEMASS 340.49744
SMILES C(CCC(OO)C=CC=CCCCCCCCCCC(O)=O)CC
M END
