Mol:BMMCBZ3Sk036
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 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
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
7 13 1 0 0 0 0
7 12 2 0 0 0 0
1 7 1 0 0 0 0
4 11 1 1 0 0 0
3 14 1 6 0 0 0
14 9 1 0 0 0 0
8 15 1 0 0 0 0
8 16 2 0 0 0 0
9 8 1 0 0 0 0
9 10 2 0 0 0 0
S SKP 7
ID BMMCBZ3Sk036
NAME 4-Amino-4-deoxy-chorismic acid
FORMULA C10H11NO5
EXACTMASS 225.0637
AVERAGEMASS 225.198
SMILES OC(=O)C(=C)O[C@H](C=1)[C@H](N)C=CC(C(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11355
M END
</pre>
