Mol:BMCCPUGUm019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
4.4752 2.4468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 2.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 2.4468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 3.9468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 0.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 -1.7255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4305 -2.4687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4250 -2.3641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8318 -3.2777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0886 -3.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 -3.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9250 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8099 -3.4856 0.0000 O 0 0 0 0 0 0 0 0 0 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
7 12 1 0 0 0 0
12 13 1 0 0 0 0
14 13 1 0 0 0 0
17 16 1 0 0 0 0
16 15 1 0 0 0 0
15 14 1 0 0 0 0
14 18 1 6 0 0 0
18 17 2 0 0 0 0
6 11 2 0 0 0 0
2 10 1 0 0 0 0
15 19 1 1 0 0 0
16 20 1 1 0 0 0
S SKP 7
ID BMCCPUGUm019
NAME Queuine
FORMULA C12H15N5O3
EXACTMASS 277.1174
AVERAGEMASS 277.2794
SMILES NC(N3)=Nc(n1)c(C(=O)3)c(CN[C@@H](C=2)[C@@H](O)[C@@H](O)C2)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01449
M END
