Mol:BMSUM6U0--11
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.2601 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 0.5194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.2601 0.5194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -0.4316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.9511 -0.4316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7601 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -0.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5691 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5691 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1261 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1261 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3090 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2601 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0691 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0691 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0691 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0691 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 11 1 6 0 0 0 | + | 5 11 1 6 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 4 10 1 6 0 0 0 | + | 4 10 1 6 0 0 0 |
| − | 3 9 1 6 0 0 0 | + | 3 9 1 6 0 0 0 |
| − | 2 8 1 4 0 0 0 | + | 2 8 1 4 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6U0--11 | + | ID BMSUM6U0--11 |
| − | NAME D-Tagaturonic acid | + | NAME D-Tagaturonic acid |
| − | FORMULA C6H10O7 | + | FORMULA C6H10O7 |
| − | EXACTMASS 194.0426 | + | EXACTMASS 194.0426 |
| − | AVERAGEMASS 194.1394 | + | AVERAGEMASS 194.1394 |
| − | SMILES OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)1 | + | SMILES OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00558 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00558 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
3.2601 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.5194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9511 -0.4316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7601 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5691 -0.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 11 1 6 0 0 0
5 4 1 0 0 0 0
11 2 1 0 0 0 0
4 3 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
4 10 1 6 0 0 0
3 9 1 6 0 0 0
2 8 1 4 0 0 0
6 13 2 0 0 0 0
S SKP 7
ID BMSUM6U0--11
NAME D-Tagaturonic acid
FORMULA C6H10O7
EXACTMASS 194.0426
AVERAGEMASS 194.1394
SMILES OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00558
M END
