Mol:BMMCBZ1Sf036
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 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
8 9 1 0 0 0 0
8 11 2 0 0 0 0
8 10 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sf036
NAME Phenol sulfate
FORMULA C6H6O4S
EXACTMASS 173.9986
AVERAGEMASS 174.1754
SMILES c(c1)ccc(c1)OS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02180
M END
