Mol:BMAXS5AMt002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 2.7500 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
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 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 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13 12 2 0 0 0 0
13 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
14 19 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
2 15 1 4 0 0 0
5 18 2 0 0 0 0
1 16 1 0 0 0 0
1 17 2 0 0 0 0
S SKP 7
ID BMAXS5AMt002
NAME Agaritine
FORMULA C12H17N3O4
EXACTMASS 267.1219
AVERAGEMASS 267.2812
SMILES OCc(c1)ccc(c1)NNC(=O)CCC(N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01550
M END
</pre>
