Mol:BMMCPYURq007
From Metabolomics.JP
(Difference between revisions)
Line 41: | Line 41: | ||
14 18 1 1 0 0 0 | 14 18 1 1 0 0 0 | ||
15 19 1 0 0 0 0 | 15 19 1 0 0 0 0 | ||
− | S SKP | + | S SKP 7 |
ID BMMCPYURq007 | ID BMMCPYURq007 | ||
− | NAME 5-Amino-6- | + | NAME 5-Amino-6- (2,3,4,5-tetrahydroxypentylamino) -1H-pyrimidine-2,4-dione |
+ | CAS_RN 17014-74-3 | ||
FORMULA C9H16N4O6 | FORMULA C9H16N4O6 | ||
EXACTMASS 276.1069 | EXACTMASS 276.1069 | ||
AVERAGEMASS 276.2467 | 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 | SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CNC(N1)=C(N)C(=O)NC(=O)1 | ||
M END | M END |
Latest revision as of 18:14, 17 June 2010
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