Marvin  05131116002D          

  8  7  0  0  0  0            999 V2000
   15.7633  -13.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4778  -13.0665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1923  -13.4790    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8903  -12.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0653  -12.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0469  -13.0698    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   16.1775  -14.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3524  -14.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
M  CHG  1   3  -1
M  RGP  1   6   1
M  END
> <ID>
CHEBI:62081

> <NAME>
1,1-diunsubstituted alkanesulfonate

> <DEFINITION>
An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens.

> <STAR>
3

> <SYNONYM>
1,1-diunsubstituted alkanesulfonates; 1,1-di-unsubstituted alkanesulfonates; 1,1-di-unsubstituted alkanesulfonate

> <FORMULA>
CH2O3SR

> <MASS>
94.09000

> <MONOISOTOPIC_MASS>
93.97246

> <CHARGE>
-1

> <SMILES>
[H]C([H])([*])S([O-])(=O)=O

> <KEGG_COMPOUND_ACCESSION>
C15521

> <METACYC_ACCESSION>
Alkanesulfonates

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