Mol:BMMCAS--d008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 1.5000 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 1.0000 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 |
| − | 4.5981 1.5000 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 |
| − | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 1 19 2 0 0 0 0 | + | 1 19 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 7 22 1 0 0 0 0 | + | 7 22 1 0 0 0 0 |
| − | 22 10 1 0 0 0 0 | + | 22 10 1 0 0 0 0 |
| − | 10 15 2 0 0 0 0 | + | 10 15 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCAS--d008 | + | ID BMMCAS--d008 |
| − | NAME 3,5,3'-Triiodo-thyro-pyruvic acid | + | NAME 3,5,3'-Triiodo-thyro-pyruvic acid |
| − | FORMULA C15H9I3O5 | + | FORMULA C15H9I3O5 |
| − | EXACTMASS 649.7584 | + | EXACTMASS 649.7584 |
| − | AVERAGEMASS 649.9432 | + | AVERAGEMASS 649.9432 |
| − | SMILES OC(=O)C(=O)Cc(c1)cc(I)c(Oc(c2)cc(I)c(O)c2)c(I)1 | + | SMILES OC(=O)C(=O)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+C03832 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03832 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
2.8660 1.5000 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
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 8 2 0 0 0 0
9 4 1 0 0 0 0
4 5 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
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 20 1 0 0 0 0
1 19 2 0 0 0 0
2 1 1 0 0 0 0
2 21 2 0 0 0 0
6 16 1 0 0 0 0
8 17 1 0 0 0 0
7 22 1 0 0 0 0
22 10 1 0 0 0 0
10 15 2 0 0 0 0
15 14 1 0 0 0 0
14 13 2 0 0 0 0
13 12 1 0 0 0 0
12 11 2 0 0 0 0
11 10 1 0 0 0 0
12 18 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 7
ID BMMCAS--d008
NAME 3,5,3'-Triiodo-thyro-pyruvic acid
FORMULA C15H9I3O5
EXACTMASS 649.7584
AVERAGEMASS 649.9432
SMILES OC(=O)C(=O)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+C03832
M END
