Mol:BMMCACENe003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 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 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 5 16 1 1 0 0 0 | + | 5 16 1 1 0 0 0 |
| − | 3 10 1 6 0 0 0 | + | 3 10 1 6 0 0 0 |
| − | 4 15 1 6 0 0 0 | + | 4 15 1 6 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACENe003 | + | ID BMMCACENe003 |
| − | NAME 3-Phospho-shikimic acid | + | NAME 3-Phospho-shikimic acid |
| − | FORMULA C7H11O8P | + | FORMULA C7H11O8P |
| − | EXACTMASS 254.0191 | + | EXACTMASS 254.0191 |
| − | AVERAGEMASS 254.1312 | + | AVERAGEMASS 254.1312 |
| − | SMILES OC(=O)C(C1)=C[C@H]([C@@H](O)[C@H](O)1)OP(O)(O)=O | + | SMILES OC(=O)C(C1)=C[C@H]([C@@H](O)[C@H](O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03175 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03175 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 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
6 1 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
1 7 1 0 0 0 0
5 16 1 1 0 0 0
3 10 1 6 0 0 0
4 15 1 6 0 0 0
10 11 1 0 0 0 0
11 14 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
S SKP 7
ID BMMCACENe003
NAME 3-Phospho-shikimic acid
FORMULA C7H11O8P
EXACTMASS 254.0191
AVERAGEMASS 254.1312
SMILES OC(=O)C(C1)=C[C@H]([C@@H](O)[C@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03175
M END
