Mol:BMMCPD--m018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 16 0 0 0 0 0 0 0 0999 V2000 | + | 15 16 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8010 0.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8010 0.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8010 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8010 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0865 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0865 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3720 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3720 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3720 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3720 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0865 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0865 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5155 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5155 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3424 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3424 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3424 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3424 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0865 0.4537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 1.0865 0.4537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0865 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0865 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8010 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8010 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5155 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5155 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5155 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5155 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8010 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8010 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--m018 | + | ID BMMCPD--m018 |
| − | NAME Hetero-pyrithiamine | + | NAME Hetero-pyrithiamine |
| − | FORMULA C11H13N4 | + | FORMULA C11H13N4 |
| − | EXACTMASS 201.114 | + | EXACTMASS 201.114 |
| − | AVERAGEMASS 201.2478 | + | AVERAGEMASS 201.2478 |
| − | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)cccc1 | + | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)cccc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02691 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02691 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 0 0 0 0 0 0999 V2000
-1.8010 0.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8010 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0865 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3720 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3720 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0865 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5155 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0865 0.4537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.0865 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 7 1 0 0 0 0
4 8 1 0 0 0 0
5 9 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCPD--m018
NAME Hetero-pyrithiamine
FORMULA C11H13N4
EXACTMASS 201.114
AVERAGEMASS 201.2478
SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02691
M END
