Mol:BMMCHC--k017
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
6.3301 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7570 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1712 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
2 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 3 1 1 0 0 0
8 10 2 0 0 0 0
13 6 1 0 0 0 0
11 14 2 0 0 0 0
1 15 1 0 0 0 0
6 11 1 0 0 0 0
1 16 2 0 0 0 0
S SKP 7
ID BMMCHC--k017
NAME Deoxy-guanidino-proclavaminic acid
FORMULA C9H16N4O3
EXACTMASS 228.1222
AVERAGEMASS 228.2485
SMILES NC(=N)NCCC[C@@H](C(O)=O)N(C1)C(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06656
M END
</pre>
