Mol:BMSUM6Ue--05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 20 0 0 1 0 0 0 0 0999 V2000 | + | 20 20 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5622 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 14 1 6 0 0 0 | + | 6 14 1 6 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 14 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 5 13 1 6 0 0 0 | + | 5 13 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 15 1 6 0 0 0 | + | 7 15 1 6 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 |
| − | 2 11 1 4 0 0 0 | + | 2 11 1 4 0 0 0 |
| − | 4 12 1 6 0 0 0 | + | 4 12 1 6 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 9 2 0 0 0 0 | + | 1 9 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Ue--05 | + | ID BMSUM6Ue--05 |
| − | NAME 2-Dehydro-3-deoxy-D-octonate 8-phosphate | + | NAME 2-Dehydro-3-deoxy-D-octonate 8-phosphate |
| − | FORMULA C8H15O11P | + | FORMULA C8H15O11P |
| − | EXACTMASS 318.0351 | + | EXACTMASS 318.0351 |
| − | AVERAGEMASS 318.1718 | + | AVERAGEMASS 318.1718 |
| − | SMILES O[C@H](C1)[C@@H](O)[C@@H]([C@@H](O)COP(O)(O)=O)OC(O)1C(O)=O | + | SMILES O[C@H](C1)[C@@H](O)[C@@H]([C@@H](O)COP(O)(O)=O)OC(O)1C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04478 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04478 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 14 1 6 0 0 0
6 5 1 0 0 0 0
6 7 1 0 0 0 0
14 2 1 0 0 0 0
5 4 1 0 0 0 0
5 13 1 6 0 0 0
7 8 1 0 0 0 0
7 15 1 6 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
2 11 1 4 0 0 0
4 12 1 6 0 0 0
8 16 1 0 0 0 0
1 10 1 0 0 0 0
1 9 2 0 0 0 0
16 17 1 0 0 0 0
17 20 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
4 3 1 0 0 0 0
S SKP 7
ID BMSUM6Ue--05
NAME 2-Dehydro-3-deoxy-D-octonate 8-phosphate
FORMULA C8H15O11P
EXACTMASS 318.0351
AVERAGEMASS 318.1718
SMILES O[C@H](C1)[C@@H](O)[C@@H]([C@@H](O)COP(O)(O)=O)OC(O)1C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04478
M END
