Mol:BMCCPUAP0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 1 0 0 0 0 0999 V2000
9.0417 1.4057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9077 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9077 -0.0943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0417 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1756 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1756 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4325 -0.7635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8392 -1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8337 -1.5725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3096 1.4057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 -0.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0476 -1.4691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0531 -1.3646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8452 -0.3864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9316 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5476 -2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3839 -2.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7112 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 1.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 1.4216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3203 2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 11 1 0 0 0 0
11 18 1 1 0 0 0
14 18 1 1 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
14 15 1 0 0 0 0
11 7 1 0 0 0 0
13 17 1 6 0 0 0
12 16 1 6 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 2 0 0 0 0
2 3 2 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
4 3 1 0 0 0 0
4 5 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
6 10 1 0 0 0 0
S SKP 7
ID BMCCPUAP0013
NAME [(2R,3S,4R,5R) -5- (6-Aminopurin-7-yl) -3,4-dihydroxyoxolan-2-yl] methyl dihydrogen phosphate
FORMULA C10H14N5O7P
EXACTMASS 347.063
AVERAGEMASS 347.2214
SMILES Nc(n3)c(c(nc3)2)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04378
M END
