Mol:BMMCBZ4Sd003
From Metabolomics.JP
(Difference between revisions)
| Line 35: | Line 35: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ4Sd003 | ID BMMCBZ4Sd003 | ||
| − | NAME | + | NAME 2-Hydroxy-3- (4-hydroxy-3,5-diiodophenyl) propanoic acid |
| + | CAS_RN 15220-05-0 | ||
FORMULA C9H8I2O4 | FORMULA C9H8I2O4 | ||
EXACTMASS 433.8511 | EXACTMASS 433.8511 | ||
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
