Mol:BMSUD2A0CG02
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 23 0 0 1 0 0 0 0 0999 V2000 | + | 23 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 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 |
| − | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.0000 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 |
| − | 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 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 | + | 4.5981 -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 | + | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 2 14 1 6 0 0 0 | + | 2 14 1 6 0 0 0 |
| − | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
| − | 18 7 1 0 0 0 0 | + | 18 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 13 1 4 0 0 0 | + | 1 13 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 3 15 1 1 0 0 0 | + | 3 15 1 1 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 4 16 1 1 0 0 0 | + | 4 16 1 1 0 0 0 |
| − | 9 20 1 1 0 0 0 | + | 9 20 1 1 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 10 21 1 1 0 0 0 | + | 10 21 1 1 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 11 22 1 1 0 0 0 | + | 11 22 1 1 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUD2A0CG02 | + | ID BMSUD2A0CG02 |
| − | NAME Melibiitol | + | NAME Melibiitol |
| − | FORMULA C12H24O11 | + | FORMULA C12H24O11 |
| − | EXACTMASS 344.1318 | + | EXACTMASS 344.1318 |
| − | AVERAGEMASS 344.3123 | + | AVERAGEMASS 344.3123 |
| − | SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1 | + | SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05399 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05399 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
4.5981 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 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 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 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
4.5981 -2.5000 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 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 18 1 0 0 0 0
1 17 1 0 0 0 0
2 14 1 6 0 0 0
5 17 1 1 0 0 0
18 7 1 0 0 0 0
7 8 1 0 0 0 0
1 13 1 4 0 0 0
8 9 1 0 0 0 0
5 4 1 0 0 0 0
9 10 1 0 0 0 0
3 15 1 1 0 0 0
10 11 1 0 0 0 0
4 3 1 0 0 0 0
8 19 1 6 0 0 0
4 16 1 1 0 0 0
9 20 1 1 0 0 0
3 2 1 0 0 0 0
10 21 1 1 0 0 0
5 6 1 0 0 0 0
11 22 1 1 0 0 0
2 1 1 0 0 0 0
11 12 1 0 0 0 0
12 23 1 0 0 0 0
S SKP 7
ID BMSUD2A0CG02
NAME Melibiitol
FORMULA C12H24O11
EXACTMASS 344.1318
AVERAGEMASS 344.3123
SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05399
M END
