Mol:LBF20407HO02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-3.9876 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9876 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2728 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2728 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4463 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0165 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 1.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0165 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1281 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5579 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2728 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9876 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 -1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1267 1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1267 1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8424 0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
6 10 1 1 0 0 0
3 11 2 0 0 0 0
11 12 1 0 0 0 0
13 12 1 0 0 0 0
13 14 2 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
15 21 1 6 0 0 0
9 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
S SKP 5
ID LBF20407HO02
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CCC(C=CCC=CC=CC=CC(CCCC(O)=O)O)O)CC
M END
</pre>
