Mol:LBF20407LX01
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.2110 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2110 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0701 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0707 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0701 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3571 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0707 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 -0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 0.8257 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
1 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
6 12 1 0 0 0 0
12 13 2 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
7 17 1 6 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
11 20 1 0 0 0 0
14 21 1 1 0 0 0
15 22 1 6 0 0 0
19 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
S SKP 5
ID LBF20407LX01
FORMULA C20H32O5
EXACTMASS 352.224974134
AVERAGEMASS 352.46508
SMILES C(CCC(C=CC=CC=CC=CC(O)C(O)CCCC(O)=O)O)CC
M END
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