Mol:BMCCPTFO0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 1 0 0 0 0 0999 V2000 | + | 32 34 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 N 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 |
| − | 5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 N 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 |
| − | 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.7500 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 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.2500 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 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -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 | + | 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 13.2583 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 12 5 1 0 0 0 0 | + | 12 5 1 0 0 0 0 |
| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 27 2 0 0 0 0 | + | 4 27 2 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 6 9 1 0 0 0 0 | + | 6 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 14 19 2 0 0 0 0 | + | 14 19 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 28 2 0 0 0 0 | + | 20 28 2 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 26 32 2 0 0 0 0 | + | 26 32 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTFO0011 | + | ID BMCCPTFO0011 |
| − | NAME 7,8-Dihydro-folic acid | + | NAME 7,8-Dihydro-folic acid |
| − | FORMULA C19H21N7O6 | + | FORMULA C19H21N7O6 |
| − | EXACTMASS 443.1553 | + | EXACTMASS 443.1553 |
| − | AVERAGEMASS 443.4136 | + | AVERAGEMASS 443.4136 |
| − | SMILES C(=C21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=N2)N=C(N)NC1=O | + | SMILES C(=C21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=N2)N=C(N)NC1=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00415 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00415 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 1 0 0 0 0 0999 V2000
3.7321 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 N 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
5.4641 1.2500 0.0000 N 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 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 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
2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 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
9.7942 -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
10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 2 0 0 0 0
11 8 1 0 0 0 0
11 1 1 0 0 0 0
12 5 1 0 0 0 0
12 4 1 0 0 0 0
8 7 1 0 0 0 0
1 2 2 0 0 0 0
5 6 2 0 0 0 0
4 3 1 0 0 0 0
4 27 2 0 0 0 0
2 13 1 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
10 14 1 0 0 0 0
14 19 2 0 0 0 0
14 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 2 0 0 0 0
18 17 2 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
20 28 2 0 0 0 0
23 21 1 0 0 0 0
23 24 1 1 0 0 0
23 22 1 0 0 0 0
24 25 1 0 0 0 0
22 30 1 0 0 0 0
22 29 2 0 0 0 0
25 26 1 0 0 0 0
26 31 1 0 0 0 0
26 32 2 0 0 0 0
7 6 1 0 0 0 0
2 3 1 0 0 0 0
16 17 1 0 0 0 0
S SKP 7
ID BMCCPTFO0011
NAME 7,8-Dihydro-folic acid
FORMULA C19H21N7O6
EXACTMASS 443.1553
AVERAGEMASS 443.4136
SMILES C(=C21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=N2)N=C(N)NC1=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00415
M END
