Mol:LBPR01040039
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
-3.9297 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6849 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3567 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3567 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
5 9 1 0 0 0 0
4 10 1 0 0 0 0
9 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 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
13 23 2 0 0 0 0
S SKP 5
ID LBPR01040039
FORMULA C20H26O3
EXACTMASS 314.18819469799996
AVERAGEMASS 314.41864
SMILES C(C1(C)C)(C=CC(C=O)=CC=CC(C)=CC(O)=O)=C(C)CCC1
M END
</pre>
