Mol:BMCCID--i030
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
14 15 0 0 0 0 0 0 0 0999 V2000
3.5878 0.4374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4049 -1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2709 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2709 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4049 0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5388 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5388 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2788 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9479 2.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3006 1.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2788 -2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
9 4 1 0 0 0 0
8 9 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 8 1 0 0 0 0
9 3 1 0 0 0 0
3 14 2 0 0 0 0
1 10 1 0 0 0 0
10 12 2 0 0 0 0
10 11 1 0 0 0 0
2 13 2 0 0 0 0
S SKP 7
ID BMCCID--i030
NAME N-Acetyl-isatin
FORMULA C10H7NO3
EXACTMASS 189.0425
AVERAGEMASS 189.1675
SMILES CC(=O)n(c(=O)1)c(c2)c(ccc2)c(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02172
M END
</pre>
