Mol:BMCCID--j013
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
2.0000 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4305 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 -2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1215 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
9 3 1 0 0 0 0
4 5 1 0 0 0 0
5 13 1 0 0 0 0
3 10 1 0 0 0 0
5 6 2 0 0 0 0
10 11 1 0 0 0 0
6 7 1 0 0 0 0
11 12 1 0 0 0 0
7 8 2 0 0 0 0
11 14 2 0 0 0 0
9 4 2 0 0 0 0
9 8 1 0 0 0 0
12 15 1 0 0 0 0
12 16 2 0 0 0 0
S SKP 7
ID BMCCID--j013
NAME 5-Hydroxy-indole-pyruvic acid
FORMULA C11H9NO4
EXACTMASS 219.0531
AVERAGEMASS 219.1935
SMILES Oc(c2)cc(c(c2)1)c(cn1)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05646
M END
</pre>
