Mol:LBF18304HP03
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 |
| − | -3.1464 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1464 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8553 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8553 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 1.3986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3315 1.3986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6177 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6177 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7342 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7342 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1464 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1464 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1464 2.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1464 2.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7342 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7342 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5513 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5513 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5513 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5513 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2651 2.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2651 2.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9972 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9972 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4094 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4094 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4094 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4094 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9972 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9972 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4094 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4094 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9972 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9972 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 6 23 1 4 0 0 0 | + | 6 23 1 4 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 3 1 4 0 0 0 | + | 13 3 1 4 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 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 |
| − | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 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 |
| − | 18 19 1 0 0 0 0 | + | 18 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 |
| − | 3 23 2 0 0 0 0 | + | 3 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18304HP03 | + | ID LBF18304HP03 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO | + | SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO |
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
-3.1464 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 1.3986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3315 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 2.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5513 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5513 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 2.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9972 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
24 25 1 0 0 0 0
2 6 1 0 0 0 0
6 23 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
13 3 1 4 0 0 0
4 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
5 16 1 0 0 0 0
9 22 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 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
3 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
S SKP 5
ID LBF18304HP03
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO
M END
