Mol:BMMCPYURq003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
4.5981 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.2500 0.0000 C 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
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 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 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 13 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 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 19 2 0 0 0 0
2 14 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 18 1 0 0 0 0
9 15 1 1 0 0 0
10 16 1 6 0 0 0
11 17 1 1 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURq003
NAME 5-Amino-6- (2,3,4,5-tetrahydroxypentylamino) -1H-pyrimidine-2,4-dione
CAS_RN 17014-74-3
FORMULA C9H16N4O6
EXACTMASS 276.1069
AVERAGEMASS 276.2467
SMILES OC[C@H](O)[C@H](O)[C@H](O)CNC(N1)=C(N)C(=O)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04732
M END
