Mol:LBF20406AM21
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5274 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5274 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5274 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5274 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7024 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7024 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7024 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7024 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9888 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9888 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2752 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2752 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9888 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9888 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2752 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2752 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4502 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4502 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4502 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4502 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2635 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2635 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9399 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9399 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9771 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9771 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2635 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2635 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9771 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9771 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6907 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6907 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4043 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4043 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1179 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1179 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6907 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6907 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4043 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4043 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1184 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1184 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4051 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4051 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9399 0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9399 0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9153 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 -0.3256 0.0000 C 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406AM21 | + | ID LBF20406AM21 |
| − | FORMULA C22H37NO | + | FORMULA C22H37NO |
| − | EXACTMASS 331.287514811 | + | EXACTMASS 331.287514811 |
| − | AVERAGEMASS 331.53532 | + | AVERAGEMASS 331.53532 |
| − | SMILES C(CCC(N(C)C)=O)C=CCC=CCC=CCC=CCCCCC | + | SMILES C(CCC(N(C)C)=O)C=CCC=CCC=CCC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-3.5274 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9888 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9888 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4502 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4502 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9399 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1179 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1184 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -0.3256 0.0000 C 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 22 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 5
ID LBF20406AM21
FORMULA C22H37NO
EXACTMASS 331.287514811
AVERAGEMASS 331.53532
SMILES C(CCC(N(C)C)=O)C=CCC=CCC=CCC=CCCCCC
M END
