Mol:BMMCBZ2Pk032
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 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 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 |
| − | 2.8660 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 |
| − | 2.0000 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 |
| − | 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 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 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 1 1 0 0 0 0 | + | 7 1 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ2Pk032 | + | ID BMMCBZ2Pk032 |
| − | NAME 4- | + | NAME 3- (4-Hydroxyphenyl) -2-oxopropanoic acid |
| − | FORMULA C9H8O4 | + | CAS_RN 156-39-8 |
| − | EXACTMASS 180.0422 | + | FORMULA C9H8O4 |
| − | AVERAGEMASS 180.1574 | + | EXACTMASS 180.0422 |
| − | SMILES Oc(c1)ccc(c1)CC(=O)C(O)=O | + | AVERAGEMASS 180.1574 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01179 | + | SMILES Oc(c1)ccc(c1)CC(=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01179 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:02, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
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 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 2.5000 0.0000 C 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
3.7321 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
8 12 2 0 0 0 0
8 7 1 0 0 0 0
7 1 1 0 0 0 0
9 8 1 0 0 0 0
9 11 2 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
10 9 1 0 0 0 0
4 13 1 0 0 0 0
S SKP 7
ID BMMCBZ2Pk032
NAME 3- (4-Hydroxyphenyl) -2-oxopropanoic acid
CAS_RN 156-39-8
FORMULA C9H8O4
EXACTMASS 180.0422
AVERAGEMASS 180.1574
SMILES Oc(c1)ccc(c1)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01179
M END
