Mol:BMMCBZ2Od013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 0 0 0 0 0 0999 V2000
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
2 8 1 0 0 0 0
S SKP 7
ID BMMCBZ2Od013
NAME 2-Iodo-phenol
FORMULA C6H5IO
EXACTMASS 219.9385
AVERAGEMASS 220.008
SMILES Oc(c1)c(I)ccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01874
M END
