13 12  0  0  1  0  0  0  0  0999 V2000
    9.5900  -14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8024  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0149  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2273  -13.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4397  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6522  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8646  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0770  -13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6522  -11.9003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8854  -11.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0915  -11.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8851   -9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8646  -15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  6  9  1  6     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  7 13  2  0     0  0
M  END
> <ID>
CHEBI:34960

> <NAME>
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine

> <STAR>
2

> <SYNONYM>
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine

> <FORMULA>
C7H13NO4S

> <MASS>
207.249

> <MONOISOTOPIC_MASS>
207.05653

> <CHARGE>
0

> <SMILES>
CC(=O)N[C@@H](CSCCO)C(O)=O

> <INCHI>
InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1

> <INCHIKEY>
NAYOYSKSFGMFOB-LURJTMIESA-N

> <CAS_REGISTRY_NUMBER>
15060-26-1

> <KEGG_COMPOUND_ACCESSION>
C14876

$$$$