Mol:BMMCBZ2Ok002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 11 0 0 1 0 0 0 0 0999 V2000 | + | 11 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 1 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 |
| − | 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 |
| − | 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 |
| − | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -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 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8 3 2 0 0 0 0 | + | 8 3 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 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 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 9 1 1 0 0 0 | + | 2 9 1 1 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 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Ok002 | + | ID BMMCBZ2Ok002 |
| − | NAME (R)-2-Hydroxy-2-phenyl-acetic acid | + | NAME (R)-2-Hydroxy-2-phenyl-acetic acid |
| − | FORMULA C8H8O3 | + | FORMULA C8H8O3 |
| − | EXACTMASS 152.0473 | + | EXACTMASS 152.0473 |
| − | AVERAGEMASS 152.1473 | + | AVERAGEMASS 152.1473 |
| − | SMILES OC(=O)[C@H](O)c(c1)cccc1 | + | SMILES OC(=O)[C@H](O)c(c1)cccc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01983 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01983 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 1 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 -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 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -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
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 3 2 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
2 9 1 1 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
S SKP 7
ID BMMCBZ2Ok002
NAME (R)-2-Hydroxy-2-phenyl-acetic acid
FORMULA C8H8O3
EXACTMASS 152.0473
AVERAGEMASS 152.1473
SMILES OC(=O)[C@H](O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01983
M END
