Mol:PR100766
From Metabolomics.JP
(Difference between revisions)
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| − | + | ||
| − | ISISHOST10290423362D 1 1.00000 0.00000 15491 | + | ISISHOST10290423362D 1 1.00000 0.00000 15491 |
| − | + | ||
| − | 12 12 0 0 0 999 V2000 | + | 12 12 0 0 0 999 V2000 |
| − | -1.0178 -2.7796 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.0178 -2.7796 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.0212 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.0212 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.7362 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.7362 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.2960 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.2960 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.3064 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.3064 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.7362 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.7362 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.2960 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.2960 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.3064 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.3064 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.0178 -4.4510 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.0178 -4.4510 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.4044 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 0.4044 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -1.0281 -0.3064 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -1.0281 -0.3064 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 0.4286 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 0.4286 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 2 0 0 0 | + | 1 3 2 0 0 0 |
| − | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
| − | 2 5 2 0 0 0 | + | 2 5 2 0 0 0 |
| − | 3 6 1 0 0 0 | + | 3 6 1 0 0 0 |
| − | 4 7 2 0 0 0 | + | 4 7 2 0 0 0 |
| − | 5 8 1 0 0 0 | + | 5 8 1 0 0 0 |
| − | 6 9 2 0 0 0 | + | 6 9 2 0 0 0 |
| − | 8 10 1 0 0 0 | + | 8 10 1 0 0 0 |
| − | 8 11 2 0 0 0 | + | 8 11 2 0 0 0 |
| − | 7 9 1 0 0 0 | + | 7 9 1 0 0 0 |
| − | 7 12 1 0 0 0 | + | 7 12 1 0 0 0 |
| − | PR100766n.mol:cas nothing | + | PR100766n.mol:cas nothing |
| + | S SKP 5 | ||
| + | ID PR100766 | ||
| + | FORMULA C9H8O3 | ||
| + | EXACTMASS 164.047344122 | ||
| + | AVERAGEMASS 164.15802 | ||
| + | SMILES OC(=O)C=Cc(c1)cc(O)cc1 | ||
M END | M END | ||
Latest revision as of 10:31, 23 December 2009
ISISHOST10290423362D 1 1.00000 0.00000 15491
12 12 0 0 0 999 V2000
-1.0178 -2.7796 0.0000 C 0 0 0 0 0 0 0 0 0
-1.0212 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0
-1.7362 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0
-0.2960 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0
-0.3064 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0
-1.7362 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0
-0.2960 -4.0307 0.0000 C 0 0 0 0 0 0 0 0 0
-0.3064 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0
-1.0178 -4.4510 0.0000 C 0 0 0 0 0 0 0 0 0
0.4044 -0.3029 0.0000 O 0 0 0 0 0 0 0 0 0
-1.0281 -0.3064 0.0000 O 0 0 0 0 0 0 0 0 0
0.4286 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 2 0 0 0
1 4 1 0 0 0
2 5 2 0 0 0
3 6 1 0 0 0
4 7 2 0 0 0
5 8 1 0 0 0
6 9 2 0 0 0
8 10 1 0 0 0
8 11 2 0 0 0
7 9 1 0 0 0
7 12 1 0 0 0
PR100766n.mol:cas nothing
S SKP 5
ID PR100766
FORMULA C9H8O3
EXACTMASS 164.047344122
AVERAGEMASS 164.15802
SMILES OC(=O)C=Cc(c1)cc(O)cc1
M END
