Mol:BMMCBZ1Se015
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ1Se015 | + | ID BMMCBZ1Se015 |
| − | NAME | + | NAME Phosphono benzoic acid |
| − | FORMULA C7H7O5P | + | CAS_RN 6659-26-3 |
| − | EXACTMASS 202.0031 | + | FORMULA C7H7O5P |
| − | AVERAGEMASS 202.1012 | + | EXACTMASS 202.0031 |
| − | SMILES O=C(c(c1)cccc1)OP(O)(O)=O | + | AVERAGEMASS 202.1012 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06206 | + | SMILES O=C(c(c1)cccc1)OP(O)(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06206 | ||
M END | M END | ||
| − | |||
Latest revision as of 15:38, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
6 5 2 0 0 0 0
7 8 2 0 0 0 0
5 4 1 0 0 0 0
7 9 1 0 0 0 0
4 3 2 0 0 0 0
9 10 1 0 0 0 0
3 2 1 0 0 0 0
10 11 1 0 0 0 0
2 1 2 0 0 0 0
10 12 2 0 0 0 0
1 6 1 0 0 0 0
10 13 1 0 0 0 0
S SKP 7
ID BMMCBZ1Se015
NAME Phosphono benzoic acid
CAS_RN 6659-26-3
FORMULA C7H7O5P
EXACTMASS 202.0031
AVERAGEMASS 202.1012
SMILES O=C(c(c1)cccc1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06206
M END
