Mol:BMCCCC--0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 33 0 0 0 0 0 0 0 0999 V2000 | + | 28 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.7350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6010 -0.7500 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1369 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1369 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4049 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4049 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5388 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5388 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5388 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5388 0.7500 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1369 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 -1.2500 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 | + | 7.8690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2709 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2709 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2709 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2709 0.7500 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1399 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1399 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8690 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 2.2500 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5521 -1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5521 -1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5521 0.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5521 0.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4049 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4049 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0029 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0029 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 14 2 0 0 0 0 | + | 17 14 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 7 1 0 0 0 0 | + | 15 7 1 0 0 0 0 |
| − | 15 6 1 0 0 0 0 | + | 15 6 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 10 27 1 0 0 0 0 | + | 10 27 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 5 1 0 0 0 0 | + | 14 5 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 26 1 0 0 0 0 | + | 9 26 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 13 18 2 0 0 0 0 | + | 13 18 2 0 0 0 0 |
| − | 13 4 1 0 0 0 0 | + | 13 4 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 12 28 1 0 0 0 0 | + | 12 28 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--0003 | + | ID BMCCCC--0003 |
| − | NAME 12-Hydroxy-dihydro-chelirubine | + | NAME 12-Hydroxy-dihydro-chelirubine |
| − | FORMULA C21H17NO6 | + | FORMULA C21H17NO6 |
| − | EXACTMASS 379.1055 | + | EXACTMASS 379.1055 |
| − | AVERAGEMASS 379.3628 | + | AVERAGEMASS 379.3628 |
| − | SMILES c(c(O)6)c(c(c(c64)cc(O5)c(OC5)c4)3)c(c(CN3C)1)c(OC)c(O2)c(OC2)c1 | + | SMILES c(c(O)6)c(c(c(c64)cc(O5)c(OC5)c4)3)c(c(CN3C)1)c(OC)c(O2)c(OC2)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05193 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05193 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 33 0 0 0 0 0 0 0 0999 V2000
8.7350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6010 -0.7500 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1369 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4049 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5388 0.7500 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 -1.2500 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2709 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2709 0.7500 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1399 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8690 2.2500 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
10.5521 -1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5521 0.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4049 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0029 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16 17 1 0 0 0 0
16 15 2 0 0 0 0
16 10 1 0 0 0 0
17 14 2 0 0 0 0
17 11 1 0 0 0 0
15 7 1 0 0 0 0
15 6 1 0 0 0 0
10 9 2 0 0 0 0
10 27 1 0 0 0 0
14 13 1 0 0 0 0
14 5 1 0 0 0 0
11 12 2 0 0 0 0
7 8 2 0 0 0 0
9 26 1 0 0 0 0
27 22 1 0 0 0 0
13 18 2 0 0 0 0
13 4 1 0 0 0 0
5 21 1 0 0 0 0
12 28 1 0 0 0 0
8 25 1 0 0 0 0
26 20 1 0 0 0 0
18 1 1 0 0 0 0
4 3 2 0 0 0 0
1 2 2 0 0 0 0
3 24 1 0 0 0 0
2 23 1 0 0 0 0
24 19 1 0 0 0 0
6 5 1 0 0 0 0
9 8 1 0 0 0 0
12 18 1 0 0 0 0
25 20 1 0 0 0 0
3 2 1 0 0 0 0
23 19 1 0 0 0 0
S SKP 7
ID BMCCCC--0003
NAME 12-Hydroxy-dihydro-chelirubine
FORMULA C21H17NO6
EXACTMASS 379.1055
AVERAGEMASS 379.3628
SMILES c(c(O)6)c(c(c(c64)cc(O5)c(OC5)c4)3)c(c(CN3C)1)c(OC)c(O2)c(OC2)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05193
M END
