Mol:LBF20406AM28
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 25 0 0 0 0 0 0 0 0999 V2000 | + | 26 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 3 2 0 0 0 0 | + | 1 3 2 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 6 10 2 0 0 0 0 | + | 6 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 14 10 1 0 0 0 0 | + | 14 10 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 4 0 0 0 | + | 19 21 1 4 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 25 2 0 0 0 0 | + | 20 25 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406AM28 | + | ID LBF20406AM28 |
| − | FORMULA C23H39NO2 | + | FORMULA C23H39NO2 |
| − | EXACTMASS 361.298079497 | + | EXACTMASS 361.298079497 |
| − | AVERAGEMASS 361.5613 | + | AVERAGEMASS 361.5613 |
| − | SMILES CC(C(=O)NCCO)CCC=CCC=CCC=CCC=CCCCCC | + | SMILES CC(C(=O)NCCO)CCC=CCC=CCC=CCC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 0 0 0 0 0 0999 V2000
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -8.7500 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
19 21 1 4 0 0 0
20 22 1 0 0 0 0
20 25 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 5
ID LBF20406AM28
FORMULA C23H39NO2
EXACTMASS 361.298079497
AVERAGEMASS 361.5613
SMILES CC(C(=O)NCCO)CCC=CCC=CCC=CCC=CCCCCC
M END
