Mol:BMCCPUXAo004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.8981 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 6 0 0 0
14 18 1 6 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
11 9 1 0 0 0 0
14 15 1 0 0 0 0
13 17 1 1 0 0 0
12 16 1 1 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
5 6 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 5 1 0 0 0 0
6 10 2 0 0 0 0
15 19 2 0 0 0 0
S SKP 7
ID BMCCPUXAo004
NAME (2S,3S,4R,5R) -3,4-Dihydroxy-5- (6-oxo-3H-purin-9-yl) oxolane-2-carbaldehyde
CAS_RN 118101-43-2
FORMULA C10H10N4O5
EXACTMASS 266.0651
AVERAGEMASS 266.2103
SMILES O=C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01993
M END
