Mol:LBF20406AM29
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 26 0 0 0 0 0 0 0 0999 V2000 | + | 27 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.3077 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3077 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3077 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3077 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4827 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4827 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4827 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4827 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7691 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7691 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0555 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0555 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7691 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7691 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0555 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0555 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2305 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2305 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2305 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2305 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5167 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5167 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7202 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7202 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1969 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1969 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5167 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5167 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1969 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1969 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9105 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9105 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6241 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6241 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3377 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3377 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9105 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9105 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6241 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6241 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3230 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3230 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6973 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6973 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3385 -0.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3385 -0.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6245 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6245 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2912 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2912 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0057 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0057 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7202 0.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7202 0.3011 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 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406AM29 | + | ID LBF20406AM29 |
| − | FORMULA C24H41NO2 | + | FORMULA C24H41NO2 |
| − | EXACTMASS 375.313729561 | + | EXACTMASS 375.313729561 |
| − | AVERAGEMASS 375.58788 | + | AVERAGEMASS 375.58788 |
| − | SMILES C(CC=CCCC(C(NCCO)=O)(C)C)=CCC=CCC=CCCCCC | + | SMILES C(CC=CCCC(C(NCCO)=O)(C)C)=CCC=CCC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 0 0 0 0 0 0999 V2000
-4.3077 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3077 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4827 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4827 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7691 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7691 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2305 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2305 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5167 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7202 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1969 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5167 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1969 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6241 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6241 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3230 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6973 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3385 -0.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2912 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 0.3011 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 0 0 0 0
19 22 1 0 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 5
ID LBF20406AM29
FORMULA C24H41NO2
EXACTMASS 375.313729561
AVERAGEMASS 375.58788
SMILES C(CC=CCCC(C(NCCO)=O)(C)C)=CCC=CCC=CCCCCC
M END
