Mol:BMFYB3HOf001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
4.5981 0.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 11 1 0 0 0 0
4 10 2 0 0 0 0
4 9 2 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 6 1 0 0 0 0
6 8 1 0 0 0 0
6 5 1 6 0 0 0
S SKP 7
ID BMFYB3HOf001
NAME 2- [(2R) -2-Hydroxypropyl] sulfanylethanesulfonic acid
CAS_RN 244301-86-8
FORMULA C5H12O4S2
EXACTMASS 200.0177
AVERAGEMASS 200.2783
SMILES C[C@@H](O)CSCCS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11496
M END
