Mol:BMMCACENe005
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 21 0 0 1 0 0 0 0 0999 V2000 | + | 21 21 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 |
| − | 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.2500 0.0000 C 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 8.9282 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -0.7500 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 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 3 13 1 6 0 0 0 | + | 3 13 1 6 0 0 0 |
| − | 4 18 1 6 0 0 0 | + | 4 18 1 6 0 0 0 |
| − | 5 19 1 1 0 0 0 | + | 5 19 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 8 21 2 0 0 0 0 | + | 8 21 2 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACENe005 | + | ID BMMCACENe005 |
| − | NAME | + | NAME (3R,4S,5R) -4-Hydroxy-5- (3-hydroxy-3-oxoprop-1-en-2-yl) oxy-3-phosphonooxycyclohexene-1-carboxylic acid |
| − | FORMULA C10H13O10P | + | CAS_RN 89771-75-5 |
| − | EXACTMASS 324.0246 | + | FORMULA C10H13O10P |
| − | AVERAGEMASS 324.1779 | + | EXACTMASS 324.0246 |
| − | SMILES OC(=O)C(=C)O[C@H](C1)[C@H](O)[C@@H](C=C(C(O)=O)1)OP(O)(O)=O | + | AVERAGEMASS 324.1779 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01269 | + | SMILES OC(=O)C(=C)O[C@H](C1)[C@H](O)[C@@H](C=C(C(O)=O)1)OP(O)(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01269 | ||
M END | M END | ||
| − | |||
Latest revision as of 15:27, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
21 21 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
8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 C 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
6.3301 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
3.3660 0.1160 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
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
8.9282 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.7500 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 11 1 0 0 0 0
7 12 2 0 0 0 0
1 7 1 0 0 0 0
3 13 1 6 0 0 0
4 18 1 6 0 0 0
5 19 1 1 0 0 0
8 9 1 0 0 0 0
9 19 1 0 0 0 0
9 10 2 0 0 0 0
8 20 1 0 0 0 0
8 21 2 0 0 0 0
17 14 1 0 0 0 0
14 13 1 0 0 0 0
14 16 1 0 0 0 0
14 15 2 0 0 0 0
S SKP 7
ID BMMCACENe005
NAME (3R,4S,5R) -4-Hydroxy-5- (3-hydroxy-3-oxoprop-1-en-2-yl) oxy-3-phosphonooxycyclohexene-1-carboxylic acid
CAS_RN 89771-75-5
FORMULA C10H13O10P
EXACTMASS 324.0246
AVERAGEMASS 324.1779
SMILES OC(=O)C(=C)O[C@H](C1)[C@H](O)[C@@H](C=C(C(O)=O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01269
M END
