Mol:BMCCPUGU0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 1 0 0 0 0 0999 V2000
3.7321 3.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.1112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.4410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1878 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5945 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -1.9191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0593 -2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5456 -1.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9854 -1.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0104 -3.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7535 -2.5372 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.4226 -3.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -2.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
12 9 1 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
12 13 1 0 0 0 0
12 18 1 1 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
14 13 1 0 0 0 0
15 18 1 1 0 0 0
15 16 1 0 0 0 0
5 6 1 0 0 0 0
16 19 1 0 0 0 0
3 2 2 0 0 0 0
19 20 1 0 0 0 0
6 1 1 0 0 0 0
20 17 1 0 0 0 0
14 17 1 6 0 0 0
6 11 2 0 0 0 0
5 7 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
14 15 1 0 0 0 0
2 10 1 0 0 0 0
S SKP 7
ID BMCCPUGU0002
NAME 2-Amino-9- [(1S,6R,8R) -3-hydroxy-3-oxo-2,4,7-trioxa-3λ5-phosphabicyclo [4.3.0] nonan-8-yl] -3H-purin-6-one
CAS_RN 13440-33-0
FORMULA C10H12N5O6P
EXACTMASS 329.0525
AVERAGEMASS 329.2061
SMILES NC(N4)=Nc(c3C(=O)4)n(cn3)[C@H](O1)C[C@H](O2)[C@@H](COP(O)(=O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02507
M END
