Mol:BMFYB4CAb015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
4.5981 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.3660 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.1830 0.0000 O 0 0 0 0 0 0 0 0 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
1 10 1 0 0 0 0
1 9 2 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYB4CAb015
NAME (4-Hydroxy-4-oxobutyl) -trimethylazanium
CAS_RN 10329-41-6
FORMULA C7H16NO2
EXACTMASS 146.1181
AVERAGEMASS 146.2074
SMILES OC(=O)CCC[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01181
M END
