Mol:BMMCBZ3So016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 0 0 0 0 0 0999 V2000 | + | 12 12 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 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 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 4 11 1 0 0 0 0 | + | 4 11 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 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ3So016 | + | ID BMMCBZ3So016 |
| − | NAME 3,4-Dihydroxy-cinnamaldehyde | + | NAME 3,4-Dihydroxy-cinnamaldehyde |
| − | FORMULA C9H8O3 | + | FORMULA C9H8O3 |
| − | EXACTMASS 164.0473 | + | EXACTMASS 164.0473 |
| − | AVERAGEMASS 164.158 | + | AVERAGEMASS 164.158 |
| − | SMILES O=CC=Cc(c1)cc(O)c(O)c1 | + | SMILES O=CC=Cc(c1)cc(O)c(O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C10945 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C10945 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 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
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 10 1 0 0 0 0
4 11 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 12 2 0 0 0 0
S SKP 7
ID BMMCBZ3So016
NAME 3,4-Dihydroxy-cinnamaldehyde
FORMULA C9H8O3
EXACTMASS 164.0473
AVERAGEMASS 164.158
SMILES O=CC=Cc(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C10945
M END
