Mol:BMCCCC--0028
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 30 0 0 0 0 0 0 0 0999 V2000 | + | 25 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.7350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1369 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1369 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4049 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4049 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5388 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5388 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5388 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5388 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4049 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4049 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1369 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1369 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2709 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2709 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2709 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2709 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1369 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1369 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1399 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1399 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5521 -1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5521 -1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5521 0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5521 0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16 10 2 0 0 0 0 | + | 16 10 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 6 1 0 0 0 0 | + | 15 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 4 1 0 0 0 0 | + | 13 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 7 15 2 0 0 0 0 | + | 7 15 2 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 18 12 2 0 0 0 0 | + | 18 12 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 25 1 0 0 0 0 | + | 9 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 8 1 0 0 0 0 | + | 24 8 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--0028 | + | ID BMCCCC--0028 |
| − | NAME Sanguinarine | + | NAME Sanguinarine |
| − | FORMULA C20H14NO4 | + | FORMULA C20H14NO4 |
| − | EXACTMASS 332.0922 | + | EXACTMASS 332.0922 |
| − | AVERAGEMASS 332.3295 | + | AVERAGEMASS 332.3295 |
| − | SMILES c(c36)(c(ccc3c(c5c[n+1]6C)cc(c4c5)OCO4)2)cc(c1c2)OCO1 | + | SMILES c(c36)(c(ccc3c(c5c[n+1]6C)cc(c4c5)OCO4)2)cc(c1c2)OCO1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06162 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06162 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 30 0 0 0 0 0 0 0 0999 V2000
8.7350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.1369 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4049 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4049 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1369 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2709 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2709 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1369 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1399 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5521 -1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5521 0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16 10 2 0 0 0 0
16 15 1 0 0 0 0
15 6 1 0 0 0 0
6 5 2 0 0 0 0
18 13 1 0 0 0 0
13 4 1 0 0 0 0
4 3 2 0 0 0 0
2 1 2 0 0 0 0
1 18 1 0 0 0 0
5 14 1 0 0 0 0
17 16 1 0 0 0 0
10 9 1 0 0 0 0
8 7 1 0 0 0 0
2 3 1 0 0 0 0
3 23 1 0 0 0 0
23 19 1 0 0 0 0
19 22 1 0 0 0 0
22 2 1 0 0 0 0
7 15 2 0 0 0 0
17 14 1 0 0 0 0
14 13 2 0 0 0 0
18 12 2 0 0 0 0
12 11 1 0 0 0 0
8 9 2 0 0 0 0
9 25 1 0 0 0 0
25 20 1 0 0 0 0
20 24 1 0 0 0 0
24 8 1 0 0 0 0
11 17 2 0 0 0 0
5 21 1 0 0 0 0
S SKP 7
ID BMCCCC--0028
NAME Sanguinarine
FORMULA C20H14NO4
EXACTMASS 332.0922
AVERAGEMASS 332.3295
SMILES c(c36)(c(ccc3c(c5c[n+1]6C)cc(c4c5)OCO4)2)cc(c1c2)OCO1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06162
M END
