Mol:BMSUM6Nf--01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16 6 1 0 0 0 0 | + | 16 6 1 0 0 0 0 |
| − | 5 15 1 6 0 0 0 | + | 5 15 1 6 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 3 13 1 6 0 0 0 | + | 3 13 1 6 0 0 0 |
| − | 4 14 1 1 0 0 0 | + | 4 14 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Nf--01 | + | ID BMSUM6Nf--01 |
| − | NAME N-Sulfo-D-glucosamine | + | NAME N-Sulfo-D-glucosamine |
| − | FORMULA C6H13NO8S | + | FORMULA C6H13NO8S |
| − | EXACTMASS 259.0361 | + | EXACTMASS 259.0361 |
| − | AVERAGEMASS 259.2353 | + | AVERAGEMASS 259.2353 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](C(O)1)NS(O)(=O)=O | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](C(O)1)NS(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01075 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01075 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16 6 1 0 0 0 0
5 15 1 6 0 0 0
15 1 1 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
5 6 1 0 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
3 13 1 6 0 0 0
4 14 1 1 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
S SKP 7
ID BMSUM6Nf--01
NAME N-Sulfo-D-glucosamine
FORMULA C6H13NO8S
EXACTMASS 259.0361
AVERAGEMASS 259.2353
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](C(O)1)NS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01075
M END
