Mol:BMSUM6Ue--06
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 16 0 0 1 0 0 0 0 0999 V2000 | + | 17 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.5981 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 2.0000 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 | + | 5.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 0.5000 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 |
| − | 3.0000 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 1 1 0 0 0 0 | + | 7 1 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 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 |
| − | 2 9 1 1 0 0 0 | + | 2 9 1 1 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 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 |
| − | 4 11 1 6 0 0 0 | + | 4 11 1 6 0 0 0 |
| − | 5 12 1 6 0 0 0 | + | 5 12 1 6 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | S SKP 6 | + | S SKP 6 |
| − | ID BMSUM6Ue--06 | + | ID BMSUM6Ue--06 |
| − | NAME 3-Dehydro-L-gulonate 6-phosphate | + | NAME 3-Dehydro-L-gulonate 6-phosphate |
| − | FORMULA C6H11O10P | + | FORMULA C6H11O10P |
| − | EXACTMASS 274.0089 | + | EXACTMASS 274.0089 |
| − | AVERAGEMASS 274.1193 | + | AVERAGEMASS 274.1193 |
| − | SMILES OC(=O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)COP(O)(O)=O | + | SMILES OC(=O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)COP(O)(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
5.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.0000 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
3.0000 0.5000 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 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 1 1 0 0 0 0
1 8 2 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 9 1 1 0 0 0
3 4 1 0 0 0 0
3 10 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
4 11 1 6 0 0 0
5 12 1 6 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
S SKP 6
ID BMSUM6Ue--06
NAME 3-Dehydro-L-gulonate 6-phosphate
FORMULA C6H11O10P
EXACTMASS 274.0089
AVERAGEMASS 274.1193
SMILES OC(=O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)COP(O)(O)=O
M END
