Mol:BMACBZHOd001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
12 9 1 0 0 0 0
2 3 1 0 0 0 0
9 8 1 0 0 0 0
3 4 2 0 0 0 0
8 7 1 0 0 0 0
7 1 1 0 0 0 0
4 5 1 0 0 0 0
9 11 2 0 0 0 0
5 6 2 0 0 0 0
8 10 1 6 0 0 0
6 1 1 0 0 0 0
4 14 1 0 0 0 0
5 15 1 0 0 0 0
1 2 2 0 0 0 0
3 13 1 0 0 0 0
S SKP 7
ID BMACBZHOd001
NAME 3,5-Diiodo-L-tyrosine
FORMULA C9H9I2NO3
EXACTMASS 432.8671
AVERAGEMASS 432.9822
SMILES OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01060
M END
