Mol:LBF20406AM03
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 27 0 0 0 0 0 0 0 0999 V2000
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
6 10 2 0 0 0 0
9 11 1 0 0 0 0
2 12 1 0 0 0 0
1 12 1 0 0 0 0
11 13 1 0 0 0 0
14 10 1 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 25 2 0 0 0 0
22 21 1 0 0 0 0
22 23 1 6 0 0 0
22 24 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
23 28 1 0 0 0 0
S SKP 5
ID LBF20406AM03
FORMULA C23H37NO4
EXACTMASS 391.27225867699997
AVERAGEMASS 391.54422
SMILES [C@@H](CO)(C(O)=O)NC(CCCC=CCC=CCC=CCC=CCCCCC)=O
M END
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