Mol:BMMCBZ4Sd003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 2.5000 0.0000 C 0 0 0 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 |
| − | 2.8660 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5000 0.0000 C 0 0 3 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 |
| − | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 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 -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 | + | 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 | + | 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 -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 | + | 4.5981 -0.5000 0.0000 C 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 | + | 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 3.0000 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 | + | 2.0000 1.0000 0.0000 O 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 | + | 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 | + | 5.4641 -2.0000 0.0000 I 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 | + | 2.0000 -2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 12 1 4 0 0 0 | + | 2 12 1 4 0 0 0 |
| − | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 8 14 1 0 0 0 0 | + | 8 14 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ4Sd003 | + | ID BMMCBZ4Sd003 |
| − | NAME | + | NAME 2-Hydroxy-3- (4-hydroxy-3,5-diiodophenyl) propanoic acid |
| − | FORMULA C9H8I2O4 | + | CAS_RN 15220-05-0 |
| − | EXACTMASS 433.8511 | + | FORMULA C9H8I2O4 |
| − | AVERAGEMASS 433.9669 | + | EXACTMASS 433.8511 |
| − | SMILES OC(=O)C(O)Cc(c1)cc(I)c(O)c(I)1 | + | AVERAGEMASS 433.9669 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04367 | + | SMILES OC(=O)C(O)Cc(c1)cc(I)c(O)c(I)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04367 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:17, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 3 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 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 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 1.0000 0.0000 O 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
2.0000 -2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
2 12 1 4 0 0 0
4 9 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
3 4 1 0 0 0 0
7 13 1 0 0 0 0
8 14 1 0 0 0 0
6 15 1 0 0 0 0
S SKP 7
ID BMMCBZ4Sd003
NAME 2-Hydroxy-3- (4-hydroxy-3,5-diiodophenyl) propanoic acid
CAS_RN 15220-05-0
FORMULA C9H8I2O4
EXACTMASS 433.8511
AVERAGEMASS 433.9669
SMILES OC(=O)C(O)Cc(c1)cc(I)c(O)c(I)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04367
M END
