Mol:BMCCPTPTq001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 1 0 0 0 0 0999 V2000
6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 8 1 0 0 0 0
7 6 1 0 0 0 0
6 5 2 0 0 0 0
5 10 1 0 0 0 0
9 8 1 0 0 0 0
10 9 2 0 0 0 0
10 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 9 1 0 0 0 0
2 14 1 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
11 15 1 6 0 0 0
12 16 1 1 0 0 0
13 17 1 0 0 0 0
11 6 1 0 0 0 0
4 18 1 0 0 0 0
S SKP 7
ID BMCCPTPTq001
NAME 2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydro-pteridine
FORMULA C9H13N5O4
EXACTMASS 255.0967
AVERAGEMASS 255.2308
SMILES OC[C@@H](O)[C@@H](O)C(C2)=Nc(c(O)1)c(N2)nc(N)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04874
M END
</pre>
