Mol:PR100765
From Metabolomics.JP
(Difference between revisions)
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| − | + | ||
| − | ACD/Labs04270909042D | + | ACD/Labs04270909042D |
| − | + | ||
| − | 7 6 0 0 0 0 0 0 0 0 1 V2000 | + | 7 6 0 0 0 0 0 0 0 0 1 V2000 |
| − | 5.2835 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2835 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1133 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1133 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9430 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9430 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7728 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7728 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6025 -5.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6025 -5.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7728 -6.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7728 -6.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1133 -6.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1133 -6.7668 0.0000 N 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 6 2 0 0 0 0 | + | 4 6 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | PR100765n.mol:cas nothing | + | PR100765n.mol:cas nothing |
| + | S SKP 5 | ||
| + | ID PR100765 | ||
| + | FORMULA C4H9NO2 | ||
| + | EXACTMASS 103.06332853699999 | ||
| + | AVERAGEMASS 103.11980000000001 | ||
| + | SMILES CC(N)CC(O)=O | ||
M END | M END | ||
Latest revision as of 10:31, 23 December 2009
ACD/Labs04270909042D
7 6 0 0 0 0 0 0 0 0 1 V2000
5.2835 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1133 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9430 -5.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7728 -5.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6025 -5.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7728 -6.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1133 -6.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
2 7 1 0 0 0 0
PR100765n.mol:cas nothing
S SKP 5
ID PR100765
FORMULA C4H9NO2
EXACTMASS 103.06332853699999
AVERAGEMASS 103.11980000000001
SMILES CC(N)CC(O)=O
M END
