Mol:BMCCPTPTk014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.7500 0.0000 N 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 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.7500 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 | + | 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 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 | + | 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.2500 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 |
| − | 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 8 1 0 0 0 0 | + | 11 8 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | 4 21 2 0 0 0 0 | + | 4 21 2 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 14 2 0 0 0 0 | + | 19 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 6 9 1 0 0 0 0 | + | 6 9 1 0 0 0 0 |
| − | 14 10 1 0 0 0 0 | + | 14 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 BMCCPTPTk014 | + | ID BMCCPTPTk014 |
| − | NAME 7,8-Dihydro-pteroic acid | + | NAME 7,8-Dihydro-pteroic acid |
| − | FORMULA C14H14N6O3 | + | FORMULA C14H14N6O3 |
| − | EXACTMASS 314.1127 | + | EXACTMASS 314.1127 |
| − | AVERAGEMASS 314.2996 | + | AVERAGEMASS 314.2996 |
| − | SMILES OC(=O)c(c1)ccc(NCC(C3)=NC(C(=O)2)=C(N3)N=C(N)N2)c1 | + | SMILES OC(=O)c(c1)ccc(NCC(C3)=NC(C(=O)2)=C(N3)N=C(N)N2)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00921 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00921 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 N 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 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 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
5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 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
2.0000 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 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
9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 11 1 0 0 0 0
12 4 1 0 0 0 0
11 12 2 0 0 0 0
11 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
5 12 1 0 0 0 0
4 21 2 0 0 0 0
2 13 1 0 0 0 0
16 15 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 14 2 0 0 0 0
14 15 1 0 0 0 0
20 22 1 0 0 0 0
20 23 2 0 0 0 0
17 20 1 0 0 0 0
6 9 1 0 0 0 0
14 10 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMCCPTPTk014
NAME 7,8-Dihydro-pteroic acid
FORMULA C14H14N6O3
EXACTMASS 314.1127
AVERAGEMASS 314.2996
SMILES OC(=O)c(c1)ccc(NCC(C3)=NC(C(=O)2)=C(N3)N=C(N)N2)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00921
M END
