Mol:BMMCACENe003
From Metabolomics.JP
(Difference between revisions)
| Line 37: | Line 37: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCACENe003 | ID BMMCACENe003 | ||
| − | NAME 3- | + | NAME (3R,4S,5R) -4,5-Dihydroxy-3-phosphonooxycyclohexene -1-carboxylic acid |
| + | CAS_RN 63959-45-5 | ||
FORMULA C7H11O8P | FORMULA C7H11O8P | ||
EXACTMASS 254.0191 | EXACTMASS 254.0191 | ||
Latest revision as of 15:26, 17 June 2010
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 (3R,4S,5R) -4,5-Dihydroxy-3-phosphonooxycyclohexene -1-carboxylic acid
CAS_RN 63959-45-5
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
