Mol:BMSUM6Ni--03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 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 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 5 14 1 6 0 0 0 | + | 5 14 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 4 13 1 1 0 0 0 | + | 4 13 1 1 0 0 0 |
| − | 3 12 1 6 0 0 0 | + | 3 12 1 6 0 0 0 |
| − | 1 10 1 4 0 0 0 | + | 1 10 1 4 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Ni--03 | + | ID BMSUM6Ni--03 |
| − | NAME D-Glucosaminide | + | NAME D-Glucosaminide |
| − | FORMULA C8H15NO6 | + | FORMULA C8H15NO6 |
| − | EXACTMASS 221.0899 | + | EXACTMASS 221.0899 |
| − | AVERAGEMASS 221.2078 | + | AVERAGEMASS 221.2078 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06023 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06023 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 14 1 0 0 0 0
5 14 1 6 0 0 0
5 6 1 0 0 0 0
6 15 1 0 0 0 0
4 13 1 1 0 0 0
3 12 1 6 0 0 0
1 10 1 4 0 0 0
2 7 1 1 0 0 0
7 8 1 0 0 0 0
8 11 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMSUM6Ni--03
NAME D-Glucosaminide
FORMULA C8H15NO6
EXACTMASS 221.0899
AVERAGEMASS 221.2078
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06023
M END
