Mol:BMFYB2SFb002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.3660 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 9 2 0 0 0 0
8 10 2 0 0 0 0
7 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 5 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
7 8 1 0 0 0 0
8 11 1 0 0 0 0
S SKP 7
ID BMFYB2SFb002
NAME Choline sulfate
FORMULA C5H14NO4S
EXACTMASS 184.0643
AVERAGEMASS 184.235
SMILES C[N+1](C)(C)CCOS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00919
M END
