Mol:BMMCBZ1Se015
From Metabolomics.JP
(Difference between revisions)
| Line 31: | Line 31: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ1Se015 | ID BMMCBZ1Se015 | ||
| − | NAME | + | NAME Phosphono benzoic acid |
| + | CAS_RN 6659-26-3 | ||
FORMULA C7H7O5P | FORMULA C7H7O5P | ||
EXACTMASS 202.0031 | EXACTMASS 202.0031 | ||
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
