Mol:BMMCAS--q007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 18 0 0 0 0 0 0 0 0999 V2000 | + | 17 18 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 |
| − | 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 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 |
| − | 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 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 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 3 15 1 0 0 0 0 | + | 3 15 1 0 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCAS--q007 | + | ID BMMCAS--q007 |
| − | NAME 3,4',5-Trihydroxy-stilbene | + | NAME 3,4',5-Trihydroxy-stilbene |
| − | FORMULA C14H12O3 | + | FORMULA C14H12O3 |
| − | EXACTMASS 228.0786 | + | EXACTMASS 228.0786 |
| − | AVERAGEMASS 228.2432 | + | AVERAGEMASS 228.2432 |
| − | SMILES Oc(c2)ccc(c2)C=Cc(c1)cc(O)cc(O)1 | + | SMILES Oc(c2)ccc(c2)C=Cc(c1)cc(O)cc(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03582 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03582 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 18 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
3.7321 -0.7500 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 11 2 0 0 0 0
12 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
7 13 1 0 0 0 0
13 14 2 0 0 0 0
5 6 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
2 1 2 0 0 0 0
1 6 1 0 0 0 0
1 14 1 0 0 0 0
3 15 1 0 0 0 0
10 17 1 0 0 0 0
5 16 1 0 0 0 0
S SKP 7
ID BMMCAS--q007
NAME 3,4',5-Trihydroxy-stilbene
FORMULA C14H12O3
EXACTMASS 228.0786
AVERAGEMASS 228.2432
SMILES Oc(c2)ccc(c2)C=Cc(c1)cc(O)cc(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03582
M END
