Mol:BMMCBZ3Sk044
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 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 |
| − | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.0000 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 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 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 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ3Sk044 | + | ID BMMCBZ3Sk044 |
| − | NAME Caffeic acid | + | NAME Caffeic acid |
| − | FORMULA C9H8O4 | + | FORMULA C9H8O4 |
| − | EXACTMASS 180.0422 | + | EXACTMASS 180.0422 |
| − | AVERAGEMASS 180.1574 | + | AVERAGEMASS 180.1574 |
| − | SMILES OC(=O)C=Cc(c1)cc(O)c(O)c1 | + | SMILES OC(=O)C=Cc(c1)cc(O)c(O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01197 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01197 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 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
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 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
1 2 2 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
3 12 1 0 0 0 0
4 13 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
S SKP 7
ID BMMCBZ3Sk044
NAME Caffeic acid
FORMULA C9H8O4
EXACTMASS 180.0422
AVERAGEMASS 180.1574
SMILES OC(=O)C=Cc(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01197
M END
