Mol:LBF18302HP03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.3104 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3104 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7861 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7861 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5273 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5273 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2839 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2839 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4345 1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4345 1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4345 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4345 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4345 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4345 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1096 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1096 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1096 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1096 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8961 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8961 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8979 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8979 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3104 -3.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3104 -3.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3104 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3104 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8979 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8979 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9756 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9756 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9756 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9756 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2612 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2612 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1387 3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1387 3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4987 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4987 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0788 3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0788 3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 4 25 1 0 0 0 0 | + | 4 25 1 0 0 0 0 |
| − | 6 7 1 4 0 0 0 | + | 6 7 1 4 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 5 1 4 0 0 0 | + | 13 5 1 4 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 3 1 4 0 0 0 | + | 20 3 1 4 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 |
| − | 2 23 2 0 0 0 0 | + | 2 23 2 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | 5 25 2 0 0 0 0 | + | 5 25 2 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18302HP03 | + | ID LBF18302HP03 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC | + | SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.3104 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2839 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 1.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8961 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -3.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9756 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9756 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 3.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4987 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 3.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
3 24 1 0 0 0 0
4 25 1 0 0 0 0
6 7 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 5 1 4 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 3 1 4 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
16 12 1 0 0 0 0
S SKP 5
ID LBF18302HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC
M END
