Mol:LBF20406AM05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 0 0 0 0 0 0999 V2000 | + | 23 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5930 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5930 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5930 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5930 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7680 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7680 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7680 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7680 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0544 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0544 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0544 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0544 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1979 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1979 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0055 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0055 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9115 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9115 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1979 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1979 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9115 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9115 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6251 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6251 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3387 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3387 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0523 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0523 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6251 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6251 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3387 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3387 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0528 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0528 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0055 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0055 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3395 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3395 1.1261 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406AM05 | + | ID LBF20406AM05 |
| − | FORMULA C21H35NO | + | FORMULA C21H35NO |
| − | EXACTMASS 317.271864747 | + | EXACTMASS 317.271864747 |
| − | AVERAGEMASS 317.50873999999993 | + | AVERAGEMASS 317.50873999999993 |
| − | SMILES C(CC=CCC=CCC=CCC=CCCCC(NC)=O)CCC | + | SMILES C(CC=CCC=CCC=CCC=CCCCC(NC)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
-3.5930 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5930 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0544 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0544 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0055 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3387 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3387 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0055 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3395 1.1261 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
21 22 1 0 0 0 0
20 23 2 0 0 0 0
S SKP 5
ID LBF20406AM05
FORMULA C21H35NO
EXACTMASS 317.271864747
AVERAGEMASS 317.50873999999993
SMILES C(CC=CCC=CCC=CCC=CCCCC(NC)=O)CCC
M END
