Mol:BMSUM6N0--02
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 |
| − | 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 |
| − | 2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 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 |
| − | 2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 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 |
| − | 1 6 1 0 0 0 0 | + | 1 6 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 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 3 11 1 6 0 0 0 | + | 3 11 1 6 0 0 0 |
| − | 5 14 1 6 0 0 0 | + | 5 14 1 6 0 0 0 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 4 13 1 1 0 0 0 | + | 4 13 1 1 0 0 0 |
| − | 6 15 1 1 0 0 0 | + | 6 15 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6N0--02 | + | ID BMSUM6N0--02 |
| − | NAME D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol | + | NAME D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol |
| − | FORMULA C7H16N4O4 | + | FORMULA C7H16N4O4 |
| − | EXACTMASS 220.1171 | + | EXACTMASS 220.1171 |
| − | AVERAGEMASS 220.2265 | + | AVERAGEMASS 220.2265 |
| − | SMILES NC(=N)N[C@@H]([C@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1 | + | SMILES NC(=N)N[C@@H]([C@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01298 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01298 |
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
3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.2500 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
2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 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
1 6 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 6 0 0 0
3 11 1 6 0 0 0
5 14 1 6 0 0 0
2 12 1 1 0 0 0
4 13 1 1 0 0 0
6 15 1 1 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
S SKP 7
ID BMSUM6N0--02
NAME D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
FORMULA C7H16N4O4
EXACTMASS 220.1171
AVERAGEMASS 220.2265
SMILES NC(=N)N[C@@H]([C@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01298
M END
