Mol:BMFYB2SFe004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
5.4641 1.1830 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
4.5981 -0.3170 0.0000 N 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 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
4 6 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 10 2 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
S SKP 7
ID BMFYB2SFe004
NAME Taurocyamine phosphate
FORMULA C3H10N3O6PS
EXACTMASS 247.0027
AVERAGEMASS 247.1678
SMILES N=C(NCCS(O)(=O)=O)NP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03149
M END
