Mol:LBF20503HO10
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.5846 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6188 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5536 0.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 0.3869 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 2 0 0 0 0
1 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 7 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
12 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
13 23 1 1 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF20503HO10
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)=CCC
M END
