Mol:BMFYB6ESi001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 3 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
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 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
4.5981 -0.5000 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
3.7320 -2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
2 7 1 4 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 14 2 0 0 0 0
1 12 1 0 0 0 0
12 13 1 0 0 0 0
7 8 1 0 0 0 0
8 15 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 3 0 0 0 0
S SKP 7
ID BMFYB6ESi001
NAME 2- [ [(2S) -1-Methoxy-1-oxohexan-2-yl] amino] -2-oxoethanediazonium
CAS_RN 19530-82-6
FORMULA C9H16N3O3
EXACTMASS 214.1191
AVERAGEMASS 214.2417
SMILES CCCCC(NC(=O)C[N+1]#N)C(=O)OC
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01223
M END
