Mol:BMSUM6He--04
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 16 0 0 1 0 0 0 0 0999 V2000 | + | 15 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.1160 0.4614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.1160 0.4614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.2500 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2500 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2500 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2500 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.1160 -1.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.1160 -1.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.9820 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9820 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.9820 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9820 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9081 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9081 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5068 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5068 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9135 1.5441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 1.5441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0181 2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0181 2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3839 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3839 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1160 -2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1160 -2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8480 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8480 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8480 0.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8480 0.4614 0.0000 O 0 0 0 0 0 0 0 0 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 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 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 3 12 1 1 0 0 0 | + | 3 12 1 1 0 0 0 |
| − | 5 14 1 1 0 0 0 | + | 5 14 1 1 0 0 0 |
| − | 6 15 1 6 0 0 0 | + | 6 15 1 6 0 0 0 |
| − | 4 13 1 6 0 0 0 | + | 4 13 1 6 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--04 | + | ID BMSUM6He--04 |
| − | NAME 1D-myo-Inositol 1,2-cyclic phosphate | + | NAME 1D-myo-Inositol 1,2-cyclic phosphate |
| − | FORMULA C6H11O8P | + | FORMULA C6H11O8P |
| − | EXACTMASS 242.0191 | + | EXACTMASS 242.0191 |
| − | AVERAGEMASS 242.1205 | + | AVERAGEMASS 242.1205 |
| − | SMILES O[C@@H]([C@H](O)2)[C@@H](O)[C@H](O1)[C@@H]([C@H](O)2)OP(O)(=O)1 | + | SMILES O[C@@H]([C@H](O)2)[C@@H](O)[C@H](O1)[C@@H]([C@H](O)2)OP(O)(=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04299 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04299 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 1 0 0 0 0 0999 V2000
4.1160 0.4614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2500 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2500 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1160 -1.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9820 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9820 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9081 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 1.5441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3839 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 -2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8480 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8480 0.4614 0.0000 O 0 0 0 0 0 0 0 0 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 6 1 0 0 0 0
1 2 1 0 0 0 0
1 7 1 1 0 0 0
3 12 1 1 0 0 0
5 14 1 1 0 0 0
6 15 1 6 0 0 0
4 13 1 6 0 0 0
7 9 1 0 0 0 0
9 11 1 0 0 0 0
9 10 2 0 0 0 0
2 8 1 1 0 0 0
9 8 1 0 0 0 0
S SKP 7
ID BMSUM6He--04
NAME 1D-myo-Inositol 1,2-cyclic phosphate
FORMULA C6H11O8P
EXACTMASS 242.0191
AVERAGEMASS 242.1205
SMILES O[C@@H]([C@H](O)2)[C@@H](O)[C@H](O1)[C@@H]([C@H](O)2)OP(O)(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04299
M END
