Mol:BMMCPYURq007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 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 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
4 8 2 0 0 0 0
2 7 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 6 0 0 0
14 15 1 0 0 0 0
14 18 1 1 0 0 0
15 19 1 0 0 0 0
S SKP 7
ID BMMCPYURq007
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
SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CNC(N1)=C(N)C(=O)NC(=O)1
M END
