Mol:BMFYB4ANp011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 11 1 0 0 0 0
10 13 2 0 0 0 0
10 9 1 0 0 0 0
11 10 1 0 0 0 0
9 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 8 1 0 0 0 0
6 7 2 0 0 0 0
S SKP 7
ID BMFYB4ANp011
NAME Propanoyl-agmatine
FORMULA C8H18N4O
EXACTMASS 186.148
AVERAGEMASS 186.2548
SMILES CCC(=O)NCCCCNC(N)=N
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02581
M END
