Mol:BMACBZHLt001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 1.5000 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
2.8660 0.0000 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
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.5000 0.0000 O 0 0 0 0 0 0 0 0 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
14 12 1 0 0 0 0
23 9 1 0 0 0 0
14 19 2 0 0 0 0
9 8 1 0 0 0 0
19 18 1 0 0 0 0
8 7 1 0 0 0 0
7 1 1 0 0 0 0
18 17 2 0 0 0 0
3 11 1 0 0 0 0
4 12 1 0 0 0 0
17 16 1 0 0 0 0
5 13 1 0 0 0 0
16 15 2 0 0 0 0
17 21 1 0 0 0 0
15 14 1 0 0 0 0
16 20 1 0 0 0 0
1 6 2 0 0 0 0
9 22 2 0 0 0 0
6 5 1 0 0 0 0
8 10 1 6 0 0 0
S SKP 7
ID BMACBZHLt001
NAME 3,3'5-Triiodo-L-thyronine
FORMULA C15H12I3NO4
EXACTMASS 650.79
AVERAGEMASS 650.9744
SMILES OC(=O)[C@@H](N)Cc(c1)cc(I)c(Oc(c2)cc(I)c(O)c2)c(I)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02465
M END
</pre>
