Mol:BMMCBZ3Sk049
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 14 0 0 0 0 0 0 0 0999 V2000 | + | 14 14 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 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 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ3Sk049 | + | ID BMMCBZ3Sk049 |
| − | NAME Ferulic acid | + | NAME Ferulic acid |
| − | FORMULA C10H10O4 | + | FORMULA C10H10O4 |
| − | EXACTMASS 194.0579 | + | EXACTMASS 194.0579 |
| − | AVERAGEMASS 194.184 | + | AVERAGEMASS 194.184 |
| − | SMILES COc(c1)c(O)ccc(C=CC(O)=O)1 | + | SMILES COc(c1)c(O)ccc(C=CC(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01494 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01494 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 0 0 0 0 0 0999 V2000
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 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 2 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
3 12 1 0 0 0 0
12 13 1 0 0 0 0
4 14 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sk049
NAME Ferulic acid
FORMULA C10H10O4
EXACTMASS 194.0579
AVERAGEMASS 194.184
SMILES COc(c1)c(O)ccc(C=CC(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01494
M END
