Mol:LBF18203HP03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 25 0 0 1 0 0 0 0 0999 V2000 | + | 25 25 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.7455 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7455 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0001 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0001 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6410 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6410 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2368 1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2368 1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1902 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1902 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2455 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2455 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5469 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5469 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1902 1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1902 1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5469 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5469 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5731 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5731 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5731 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5731 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5731 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5731 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3198 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3198 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7455 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7455 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7455 2.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7455 2.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3198 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3198 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9897 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9897 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 4 0 0 0 | + | 3 4 1 4 0 0 0 |
| − | 5 4 1 4 0 0 0 | + | 5 4 1 4 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 8 1 0 0 0 0 |
| − | 8 9 1 4 0 0 0 | + | 8 9 1 4 0 0 0 |
| − | 10 9 1 4 0 0 0 | + | 10 9 1 4 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 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 |
| − | 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 |
| − | 19 18 1 4 0 0 0 | + | 19 18 1 4 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 2 0 0 0 0 | + | 2 24 2 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 10 2 0 0 0 0 | + | 25 10 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18203HP03 | + | ID LBF18203HP03 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC | + | SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-2.7455 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0001 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2455 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3198 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7455 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7455 2.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3198 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 4 0 0 0
5 4 1 4 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
3 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 4 0 0 0
10 9 1 4 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
13 14 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
19 18 1 4 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 2 0 0 0 0
13 25 1 0 0 0 0
25 10 2 0 0 0 0
S SKP 5
ID LBF18203HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC
M END
