Mol:BMSUM6He--13
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 |
| − | 5.4641 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.6830 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 |
| − | 3 2 1 0 0 0 0 | + | 3 2 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 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 5 19 1 1 0 0 0 | + | 5 19 1 1 0 0 0 |
| − | 6 20 1 6 0 0 0 | + | 6 20 1 6 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 4 14 1 6 0 0 0 | + | 4 14 1 6 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 13 10 1 0 0 0 0 | + | 13 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--13 | + | ID BMSUM6He--13 |
| − | NAME 1D-myo-Inositol 3,4-bisphosphate | + | NAME 1D-myo-Inositol 3,4-bisphosphate |
| − | FORMULA C6H14O12P2 | + | FORMULA C6H14O12P2 |
| − | EXACTMASS 339.996 | + | EXACTMASS 339.996 |
| − | AVERAGEMASS 340.1156 | + | AVERAGEMASS 340.1156 |
| − | SMILES O[C@@H]([C@H](O)1)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]([C@@H](O)1)OP(O)(O)=O | + | SMILES O[C@@H]([C@H](O)1)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]([C@@H](O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04063 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04063 |
M END | M END | ||
| − | |||
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
5.4641 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6830 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
3 2 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 1 0 0 0
3 9 1 1 0 0 0
5 19 1 1 0 0 0
6 20 1 6 0 0 0
2 8 1 1 0 0 0
4 14 1 6 0 0 0
18 15 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
13 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMSUM6He--13
NAME 1D-myo-Inositol 3,4-bisphosphate
FORMULA C6H14O12P2
EXACTMASS 339.996
AVERAGEMASS 340.1156
SMILES O[C@@H]([C@H](O)1)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04063
M END
