Mol:BMMCACENe005
From Metabolomics.JP
<pre>
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 5-O-(1-Carboxyvinyl)-3-phospho-shikimic acid
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
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