Mol:BMAXS4MTr002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 1 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 9 1 0 0 0 0
1 10 2 0 0 0 0
3 4 1 0 0 0 0
4 6 1 0 0 0 0
6 8 1 0 0 0 0
2 5 1 6 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMAXS4MTr002
NAME (3-Amino-4-hydroxy-4-oxobutyl) -dimethylselanium
CAS_RN 7728-97-4
FORMULA C6H14NO2Se
EXACTMASS 212.0189
AVERAGEMASS 211.1409
SMILES OC(=O)[C@@H](N)CC[Se](C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05690
M END
