Mol:BMMCBZ2OS601
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 1 0 0 0 0 0999 V2000 | + | 20 21 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 2 15 1 1 0 0 0 | + | 2 15 1 1 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 4 17 1 1 0 0 0 | + | 4 17 1 1 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 18 1 6 0 0 0 | + | 1 18 1 6 0 0 0 |
| − | 3 16 1 6 0 0 0 | + | 3 16 1 6 0 0 0 |
| − | 5 18 1 6 0 0 0 | + | 5 18 1 6 0 0 0 |
| − | 14 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2OS601 | + | ID BMMCBZ2OS601 |
| − | NAME Salicin | + | NAME Salicin |
| − | FORMULA C13H18O7 | + | FORMULA C13H18O7 |
| − | EXACTMASS 286.1052 | + | EXACTMASS 286.1052 |
| − | AVERAGEMASS 286.2778 | + | AVERAGEMASS 286.2778 |
| − | SMILES OCc(c2)c(ccc2)O[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)1 | + | SMILES OCc(c2)c(ccc2)O[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01451 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01451 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
1 14 1 0 0 0 0
5 4 1 0 0 0 0
2 15 1 1 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
4 17 1 1 0 0 0
6 19 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 18 1 6 0 0 0
3 16 1 6 0 0 0
5 18 1 6 0 0 0
14 8 1 0 0 0 0
12 7 2 0 0 0 0
7 13 1 0 0 0 0
7 8 1 0 0 0 0
13 20 1 0 0 0 0
S SKP 7
ID BMMCBZ2OS601
NAME Salicin
FORMULA C13H18O7
EXACTMASS 286.1052
AVERAGEMASS 286.2778
SMILES OCc(c2)c(ccc2)O[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01451
M END
